SCHEMBL7450305

SCHEMBL7450305

CCc1c[nH]c(C(=O)NC)c1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.39
CREBBP Q92793 3/20 0.38
BRPF1 P55201 2/20 0.38
EP300 Q09472 1/20 0.38
PLK1 P53350 3/20 0.38
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
USP2 O75604 1/20 0.33
CCNC P24863 2/20 0.32
CDK8 P49336 2/20 0.32
PTPN11 Q06124 1/20 0.32
KMT2A Q03164 1/20 0.32
CFTR P13569 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GABRP O00591 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
SCHEMBL7371836 0.81 PNP (0.33) BRD4CREBBP
SCHEMBL2575471 0.74 ALDH1A1 (0.46) KDM4EALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL23074728 0.68
SCHEMBL29064067 0.66 PGR (0.38)
SCHEMBL5440710 0.64 ALDH1A1 (0.35) KDM4EALDH1A1USP2KMT2ACFTR
SCHEMBL8877986 0.62 BAZ2B (0.40) CREBBPKDM4EALDH1A1CCNCCDK8
SCHEMBL7824673 0.62 LMNA (0.39) KDM4EALDH1A1KMT2ASMN1; SMN2PKM
SCHEMBL5960581 0.62 CDK8 (0.38) BRD4CREBBPBRPF1EP300ALDH1A1
SCHEMBL4268684 0.62 PRNP (0.42) KDM4EALDH1A1CCNCCDK8KMT2A
SCHEMBL11774693 0.62 BRD4 (0.35) BRD4CREBBPBRPF1EP300PTPN11

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-1257553-A1 PYRROLOPYRIMIDINONE DERIVATIVES, PROCESS OF PREPARATION AND USE SK Chemicals Co., Ltd. (KR) 2002-11-20 EP disclosed
WO-2001060825-A1 PYRROLOPYRIMIDINONE DERIVATIVES, PROCESS OF PREPARATION AND USE SK CHEMICALS CO., LTD. (KR) 2001-08-23 WO disclosed