SCHEMBL2552579

SCHEMBL2552579

NCCc1nc2cccnn2c1-c1ccccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 2/20 0.38
▸ AKT1 P31749 1/20 0.36
▸ AKT2 P31751 1/20 0.36
▸ MAPK13 O15264 4/20 0.34
▸ MAPK12 P53778 4/20 0.34
▸ MAPK11 Q15759 4/20 0.34
▸ MAPK14 Q16539 4/20 0.34
▸ KDM4E B2RXH2 5/20 0.34
▸ LMNA P02545 2/20 0.34
▸ CCR1 P32246 2/20 0.34
▸ CCR5 P51681 2/20 0.34
▸ CCR8 P51685 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ METAP1 P53582 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ DOHH Q9BU89 1/20 0.34
▸ P4HTM Q9NXG6 1/20 0.34
▸ TP53 P04637 3/20 0.34

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
SCHEMBL12265590 0.83 PDE4A (0.39) AKT1AKT2MAPK13MAPK12MAPK11
SCHEMBL2576817 0.74 PIK3CD (0.44) PIK3CA
SCHEMBL12196977 0.73 DYRK1A (0.36) AKT1AKT2MAPK13MAPK12MAPK11
SCHEMBL2508774 0.73 DYRK1A (0.36) AKT1AKT2MAPK13MAPK12MAPK11
SCHEMBL2545743 0.71 KLK7 (0.41) HRH1AKT1AKT2KDM4ELMNA
Dipyridyl SCHEMBL16445111 0.64 KDM4E (0.74) HRH1KDM4ELMNACCR1CCR5
Dipyridyl SCHEMBL17315016 0.62 KDM4E (0.70) HRH1KDM4ELMNACCR1CCR5
Dipyridyl SCHEMBL10405168 0.62 KDM4E (0.70) HRH1KDM4ELMNACCR1CCR5
SCHEMBL24697495 0.62 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL31540362 0.62 KDM4E (0.50) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552908-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2013-02-06 — — EP disclosed
WO-2011123751-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 — — WO disclosed
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