SCHEMBL6095693

SCHEMBL6095693

CCc1cc(C(N)=NC)cc2[nH]c(-c3c(NC(CO)Cc4ccccc4)cc[nH]c3=O)nc12

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 20/20 0.64
CYP3A4 P08684 6/20 0.64
CYP1A2 P05177 5/20 0.64
CYP2C9 P11712 5/20 0.64
CYP2C19 P33261 5/20 0.64
CYP2D6 P10635 1/20 0.57

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
SCHEMBL14510420 1.00 IGF1R (0.64) IGF1RCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL14510348 0.92 IGF1R (0.74) IGF1RCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL5136447 0.92 IGF1R (0.74) IGF1RCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL14510409 0.91 IGF1R (0.69) IGF1RCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL6095655 0.87 IGF1R (0.65) IGF1RCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL14510354 0.86 IGF1R (0.73) IGF1RCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL5519719 0.86 IGF1R (0.73) IGF1RCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL14510405 0.85 IGF1R (0.64) IGF1RCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL6095502 0.85 IGF1R (0.64) IGF1RCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL5508374 0.84 IGF1R (0.71) 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