SCHEMBL21548814

SCHEMBL21548814

CCOc1nc(C)nc(CC)c1Cc1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ DHODH Q02127 1/20 0.35
▸ SLC26A6 Q9BXS9 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ AR P10275 1/20 0.35
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL21548857 0.88 KMT2A (0.34) LMNAL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL21548886 0.83 GRM4 (0.35) L3MBTL1ALDH1A1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL21526086 0.81 LMNA (0.42) LMNAL3MBTL1ALDH1A1NPC1HTT
SCHEMBL21548856 0.78 HTT (0.40) LMNAALDH1A1NPC1HTTRAB9A
SCHEMBL21548940 0.76 CCR4 (0.35) LMNAL3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL20356522 0.71 ALDH1A1 (0.38) LMNAL3MBTL1ALDH1A1SLC26A6KDM4E
SCHEMBL21548877 0.71 ALDH1A1 (0.43) ALDH1A1HTTKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL21526057 0.70 ALDH1A1 (0.37) LMNAL3MBTL1ALDH1A1SLC26A6KDM4E
SCHEMBL21548847 0.70 KDM4E (0.42) L3MBTL1ALDH1A1RAB9ASLC26A6KDM4E
SCHEMBL20356519 0.67 MAPK8 (0.38) LMNAL3MBTL1ALDH1A1NPC1HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3564216-B1 PYRIMIDINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2021-10-27 — — EP disclosed
EP-3564216-A1 PYRIMIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2019-11-06 — — EP disclosed
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