SCHEMBL6096462

SCHEMBL6096462

Cc1cc(C2=NCCN2)cc2[nH]c(-c3c(NC(CO)Cc4ccccc4Cl)cc[nH]c3=O)nc12

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 20/20 0.67
CYP3A4 P08684 8/20 0.63
CYP1A2 P05177 7/20 0.63
CYP2C9 P11712 7/20 0.63
CYP2C19 P33261 7/20 0.63
CYP2D6 P10635 1/20 0.53

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
SCHEMBL6096452 1.00 IGF1R (0.67) IGF1RCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL5135629 0.90 IGF1R (0.79) IGF1RCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL5135627 0.90 IGF1R (0.79) IGF1RCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL6096682 0.87 IGF1R (0.68) IGF1RCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL6096652 0.87 IGF1R (0.68) IGF1RCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL6095273 0.87 IGF1R (0.69) IGF1RCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL6095304 0.87 IGF1R (0.69) IGF1RCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL6095354 0.86 IGF1R (0.61) IGF1RCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL6095323 0.86 IGF1R (0.61) IGF1RCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL5137939 0.86 IGF1R (0.76) IGF1RCYP3A4CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7081454-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB CO. (US) 2006-07-25 US disclosed