SCHEMBL5140980

SCHEMBL5140980

Cc1c(-c2ccnc(Nc3ccc(CC(=O)N(C)CC[As](C)C)cc3)n2)c(C)n2c1C(=O)NCC2

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.35
CDK4 P11802 4/20 0.35
CDK9 P50750 3/20 0.35
CDK7 P50613 2/20 0.35
CCNT1 O60563 2/20 0.35
JAK2 O60674 3/20 0.34
JAK3 P52333 3/20 0.34
SYK P43405 2/20 0.34
IKBKB O14920 5/20 0.33
CHUK O15111 4/20 0.33
AURKA O14965 1/20 0.33
CDK1 P06493 1/20 0.33
AURKB Q96GD4 1/20 0.33
RET P07949 1/20 0.33
JAK1 P23458 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
SCHEMBL1411782 0.91 RET (0.38) CDK2CDK4CDK9CDK7CCNT1
SCHEMBL1411691 0.90 SYK (0.38) CDK2CDK4CDK9CDK7CCNT1
SCHEMBL3203746 0.89 NEK2 (0.40) CDK2CDK4CDK9CDK7CCNT1
SCHEMBL1411727 0.84 IKBKB (0.46) CDK2CDK4CDK9CDK7CCNT1
SCHEMBL3201287 0.84 CDK2 (0.44) CDK2CDK4CDK9CDK7CCNT1
SCHEMBL3201699 0.83 CDK2 (0.41) CDK2CDK4CDK9CDK7CCNT1
SCHEMBL3204027 0.80 BRD4 (0.50) CDK2CDK9CDK7CCNT1JAK2
SCHEMBL3192460 0.80 CDK2 (0.46) CDK2CDK4CDK9CDK7CCNT1
SCHEMBL3216553 0.79 PTK2 (0.45) CDK2CDK4CDK9CDK7CCNT1
SCHEMBL1412198 0.79 CDK2 (0.50) CDK2CDK4CDK9CDK7CCNT1

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-1940846-A2 PYRIMIDIN-4-YL-3,4-DIHYDRO-2H-PYRROLO[1,2A]PYRAZIN-1-ONE COMPOUNDS Cyclacel Limited (GB) 2008-07-09 EP claimed
WO-2007042784-A2 PYRIMIDIN-4-YL-3, 4-DIHYDR0-2H- PYRROLO [1, 2A] PYRAZIN-1-ONE COMPOUNDS CYCLACEL LIMITED (GB) 2007-04-19 WO claimed