Sugi Predict

Sugi Predict / Compounds / SCHEMBL10377669

SCHEMBL10377669

SCHEMBL10377669

C1=CNC(c2ccccn2)=CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.45
▸ LMNA P02545 3/20 0.45
▸ CCR1 P32246 2/20 0.45
▸ CCR5 P51681 2/20 0.45
▸ CCR8 P51685 2/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ METAP1 P53582 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ DOHH Q9BU89 1/20 0.45
▸ P4HTM Q9NXG6 1/20 0.45
▸ NPC1 O15118 6/20 0.40
▸ RAB9A P51151 6/20 0.40
▸ NISCH Q9Y2I1 1/20 0.40
▸ TP53 P04637 4/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ ALOX15 P16050 3/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23008454 0.84 KDM4E (0.43) KDM4ELMNACCR1CCR5CCR8
SCHEMBL7433443 0.77 CYP2D6 (0.34) HSP90AA1
SCHEMBL11691522 0.71 HSP90AA1 (0.42) KDM4ENPC1RAB9AALDH1A1HSP90AA1
SCHEMBL19128029 0.69 KDM4E (0.46) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL2340917 0.68 KDM4E (0.93) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL29357100 0.68 KDM4E (0.93) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL29907716 0.66 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL29351528 0.66 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL3711450 0.66 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL5922 0.66 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0001054-A2 2-Pyridyl-1,4-dihydropyridine derivatives, methods for their preparation and their pharmaceutical use BAYER AG (DE) 1979-03-21 — — EP claimed
EP-0157260-B1 4,7-DIHYDROPYRAZOLO(3,4-B)PYRIDINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 1990-06-13 — — EP disclosed
US-4873334-A HYPOTENSIVE AGENTS, CORONARY VASODILATORS SHIONOGI & CO., LTD. (JP) 1989-10-10 — — US disclosed
EP-0107619-B1 DIHYDROPYRAZOLO(3,4-B)PYRIDINE DERIVATIVES AND PRODUCTION THEREOF SHIONOGI & CO., LTD. (JP) 1987-07-29 — — EP disclosed
US-4562256-A HYPOTENSIVE AGENTS SHIONOGI & CO., LTD. (JP) 1985-12-31 — — US disclosed
EP-0157260-A1 4,7-Dihydropyrazolo(3,4-b)Pyridine derivatives SHIONOGI & CO., LTD. (JP) 1985-10-09 — — EP disclosed
EP-0107619-A1 Dihydropyrazolo(3,4-b)pyridine derivatives and production thereof SHIONOGI & CO., LTD. (JP) 1984-05-02 — — EP disclosed
EP-0001054-A3 2-PYRIDYL-1,4-DIHYDROPYRIDINE DERIVATIVES, METHODS FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL USE BAYER AG (DE) 1979-04-04 — — EP disclosed
EP-0001054-A3 2-PYRIDYL-1,4-DIHYDROPYRIDINE DERIVATIVES, METHODS FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL USE BAYER AG (DE) 1979-04-04 — — EP disclosed
EP-0001054-A2 2-Pyridyl-1,4-dihydropyridine derivatives, methods for their preparation and their pharmaceutical use BAYER AG (DE) 1979-03-21 — — EP disclosed
EP-0001054-A2 2-Pyridyl-1,4-dihydropyridine derivatives, methods for their preparation and their pharmaceutical use BAYER AG (DE) 1979-03-21 — — EP disclosed
EP-0001054-A2 2-Pyridyl-1,4-dihydropyridine derivatives, methods for their preparation and their pharmaceutical use BAYER AG (DE) 1979-03-21 — — EP disclosed
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