SCHEMBL3923646

SCHEMBL3923646

CN(c1cc(-c2ccccc2)c2ncn(C)c2c1)c1ccnc(NCC2CCN(C(N)C=O)CC2)n1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ VCP P55072 2/20 0.35
▸ USP30 Q70CQ3 2/20 0.34
▸ CCNE2 O96020 3/20 0.34
▸ CCNA2 P20248 3/20 0.34
▸ CCNE1 P24864 3/20 0.34
▸ CDK2 P24941 3/20 0.34
▸ CCNA1 P78396 3/20 0.34
▸ GRIN2B Q13224 5/20 0.33
▸ PAK4 O96013 1/20 0.33
▸ PAK1 Q13153 1/20 0.33
▸ KDR P35968 2/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ EPHB4 P54760 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.32
▸ DPP4 P27487 1/20 0.31
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL3933938 0.85 GRIN2B (0.41) VCPUSP30CCNE2CCNA2CCNE1
SCHEMBL3924645 0.85 CCNE2 (0.45) VCPUSP30CCNE2CCNA2CCNE1
SCHEMBL3922547 0.85 VCP (0.37) VCPUSP30CCNE2CCNA2CCNE1
SCHEMBL3922542 0.83 GRIN2B (0.40) VCPUSP30GRIN2BDPP4
SCHEMBL3924760 0.79 HRH4 (0.43) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL5948011 0.76 CCNE1 (0.48) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL3935077 0.76 MAP3K5 (0.41) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL3924389 0.76 MAPK8 (0.40) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL3927808 0.74 NPC1 (0.36) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL3924707 0.73 MKNK1 (0.45) CCNE2CCNA2CCNE1CDK2CCNA1

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
Send feedback