SCHEMBL6896094

SCHEMBL6896094

c1cc2c(ccn2-n2ccc3cnccc32)cn1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.47
CDK2 P24941 2/20 0.47
SLC22A12 Q96S37 2/20 0.45
RAPGEF4 Q8WZA2 1/20 0.42
MAPT P10636 2/20 0.42
MKNK2 Q9HBH9 3/20 0.40
CYP19A1 P11511 3/20 0.39
TGFBR1 P36897 4/20 0.36
P2RX7 Q99572 1/20 0.35
ATM Q13315 1/20 0.34

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
SCHEMBL16835909 0.78 CDC7 (0.37) CDC7CDK2SLC22A12RAPGEF4MAPT
SCHEMBL27976818 0.77 CDC7 (0.45) CDC7CDK2SLC22A12RAPGEF4MAPT
SCHEMBL30267535 0.77 CDC7 (0.45) CDC7CDK2SLC22A12RAPGEF4MAPT
SCHEMBL18940537 0.77 CDC7 (0.45) CDC7CDK2SLC22A12RAPGEF4MAPT
SCHEMBL256341 0.77 MAPT (0.50) CDC7CDK2SLC22A12RAPGEF4MAPT
SCHEMBL14312995 0.77 CDC7 (0.49) CDC7CDK2SLC22A12RAPGEF4MAPT
SCHEMBL6646174 0.77 CDC7 (0.45) CDC7CDK2SLC22A12RAPGEF4MAPT
SCHEMBL29497360 0.77 MAPT (0.50) CDC7CDK2SLC22A12RAPGEF4MAPT
SCHEMBL10197254 0.77 CDC7 (0.45) CDC7CDK2SLC22A12RAPGEF4MAPT
SCHEMBL9911122 0.73 P2RX7 (0.43) CDC7CDK2RAPGEF4CYP19A1TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257276-A4 ANTIVIRAL AZAINDOLE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2004-10-27 EP disclosed
EP-1257276-A1 ANTIVIRAL AZAINDOLE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-11-20 EP disclosed
WO-2001062255-A1 ANTIVIRAL AZAINDOLE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2001-08-30 WO disclosed