SCHEMBL3927419

SCHEMBL3927419

C[C@@H](Cc1cccc(CCN)c1)Nc1nccc(N(C)c2cc(-c3ccccc3)c3ncn(C)c3c2)n1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 12/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ MAPK14 Q16539 3/20 0.33
▸ EPHB4 P54760 2/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ CYP3A4 P08684 2/20 0.31
▸ CYP2D6 P10635 2/20 0.31
▸ CYP2C9 P11712 2/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ CCNA2 P20248 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ CCNA1 P78396 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ DYRK1B Q9Y463 1/20 0.31

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
SCHEMBL3926763 0.94 DPP4 (0.36) KDRDPP4MAPK14EPHB4FGFR1
SCHEMBL3922932 0.92 KDR (0.39) KDRMAPK14EPHB4FGFR1CCNA2
SCHEMBL3933169 0.89 MAPK14 (0.36) KDRDPP4MAPK14EPHB4FGFR1
SCHEMBL3927416 0.89 MAPK14 (0.36) KDRDPP4MAPK14EPHB4FGFR1
SCHEMBL14395970 0.87 KDR (0.32) KDRMAPK14EPHB4FGFR1CCNA2
SCHEMBL5914286 0.85 KDR (0.36) KDRMAPK14EPHB4FGFR1CYP3A4
SCHEMBL5914283 0.85 KDR (0.36) KDRMAPK14EPHB4FGFR1CYP3A4
SCHEMBL4004025 0.81 DPP4 (0.36) KDRDPP4MAPK14EPHB4FGFR1
SCHEMBL3924760 0.79 HRH4 (0.43) KDRDPP4EPHB4FGFR1CCNA2
SCHEMBL5914043 0.78 CFD (0.38) KDRMAPK14EPHB4FGFR1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2041118-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2009-04-01 — — EP claimed
WO-2007114827-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2007-10-11 — — WO claimed
EP-2041118-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2009-04-01 — — EP disclosed
WO-2007114827-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2007-10-11 — — WO disclosed
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