SCHEMBL6095211

SCHEMBL6095211

CNC(=N)c1cc(C)c2nc(-c3c(NCCc4cccs4)cc[nH]c3=O)[nH]c2c1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 19/20 0.65
AURKA O14965 1/20 0.51
AURKB Q96GD4 1/20 0.51
ALK Q9UM73 1/20 0.51
CYP1A2 P05177 4/20 0.51
CYP3A4 P08684 4/20 0.51
CYP2C9 P11712 4/20 0.51
CYP2C19 P33261 4/20 0.51

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
SCHEMBL6095236 0.87 IGF1R (0.65) IGF1RAURKAAURKBALKCYP1A2
SCHEMBL14510414 0.87 IGF1R (0.65) IGF1RAURKAAURKBALKCYP1A2
SCHEMBL6095994 0.84 IGF1R (0.66) IGF1RAURKAAURKBALKCYP1A2
SCHEMBL6094914 0.83 IGF1R (0.61) IGF1RAURKAAURKBALKCYP1A2
SCHEMBL6096188 0.80 IGF1R (0.66) IGF1RCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5136571 0.79 IGF1R (1.00) IGF1RCYP3A4CYP2C19
SCHEMBL6094356 0.79 IGF1R (0.65) IGF1RAURKAAURKBALKCYP1A2
SCHEMBL5507059 0.79 IGF1R (0.70) IGF1RAURKAAURKBALKCYP1A2
SCHEMBL5510272 0.76 IGF1R (0.70) IGF1RAURKAAURKBALKCYP1A2
SCHEMBL5137596 0.76 IGF1R (0.84) IGF1RAURKAAURKBALKCYP1A2

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