SCHEMBL27579367

SCHEMBL27579367

O=C(O)c1cccc(CCNc2nccc(-c3c[nH]nc3-c3ccc(Cl)c(O)c3)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 9/20 0.46
▸ CCNT1 O60563 2/20 0.42
▸ CCNA2 P20248 2/20 0.42
▸ CDK2 P24941 2/20 0.42
▸ CDK9 P50750 2/20 0.42
▸ STAT6 P42226 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ KDM5A P29375 1/20 0.38
▸ KDM5C P41229 1/20 0.38
▸ KDM5B Q9UGL1 1/20 0.38
▸ MAPK14 Q16539 2/20 0.37
▸ DGAT1 O75907 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ CAMK2D Q13557 1/20 0.37
▸ RAF1 P04049 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ EIF2AK2 P19525 1/20 0.37
▸ PTGER1 P34995 1/20 0.36

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
SCHEMBL3257066 0.75 SYK (0.49) KDM4ECAMK2D
SCHEMBL27550354 0.72 ABL1 (0.66) —
SCHEMBL3255280 0.72 IKBKB (0.53) BRAFCCNT1CCNA2CDK2CDK9
SCHEMBL1466635 0.70 ABL1 (0.51) BRAFCCNT1CCNA2CDK2CDK9
SCHEMBL13039322 0.69 CCNT1 (0.60) CCNT1CCNA2CDK2CDK9EIF2AK2
SCHEMBL4200006 0.68 CCNT1 (0.59) CCNT1CCNA2CDK2CDK9CAMK2D
SCHEMBL28550605 0.68 ABL1 (0.59) CAMK2D
SCHEMBL5256677 0.68 MAPK14 (0.52) CCNT1CCNA2CDK2CDK9MAPK14
SCHEMBL959130 0.68 PTGDR (0.64) CCNT1CCNA2CDK2CDK9KDM4E
SCHEMBL3253355 0.67 PIK3CG (0.47) CCNT1CCNA2CDK2CDK9CAMK2D

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
CN-1330643-C Phenyl-[4-(3-phenyl-1h-pyrazol-4-yl)-pyrimidin-2-yl)-amine derivatives NOVARTIS AG (CH) 2007-08-08 — — CN claimed
CN-1668610-A Phenyl-[4-(3-phenyl-1h-pyrazol-4-yl)-pyrimidin-2-yl)-amine derivatives NOVARTIS AG (CH) 2005-09-14 — — CN claimed
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