SCHEMBL6096008

SCHEMBL6096008

Cc1cc(N)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 20/20 0.81
▸ CYP3A4 P08684 14/20 0.81
▸ CYP2C19 P33261 9/20 0.81
▸ CYP1A2 P05177 8/20 0.81
▸ CYP2C9 P11712 8/20 0.81
▸ EGFR P00533 2/20 0.73
▸ INSR P06213 2/20 0.73
▸ LCK P06239 2/20 0.73
▸ KDR P35968 2/20 0.73
▸ PTK2 Q05397 2/20 0.73
▸ ERBB2 P04626 1/20 0.73
▸ MET P08581 1/20 0.73
▸ MAP2K1 Q02750 1/20 0.73
▸ PLK4 O00444 1/20 0.73
▸ CHEK1 O14757 1/20 0.73
▸ AURKA O14965 1/20 0.73
▸ PDPK1 O15530 1/20 0.73
▸ DAPK3 O43293 1/20 0.73
▸ DYRK3 O43781 1/20 0.73
▸ JAK2 O60674 1/20 0.73

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
SCHEMBL5136755 0.90 IGF1R (0.79) IGF1RCYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL5136895 0.90 IGF1R (0.81) IGF1RCYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL6096317 0.90 IGF1R (0.81) IGF1RCYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL5147090 0.90 IGF1R (1.00) IGF1RCYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL5072446 0.90 IGF1R (1.00) IGF1RCYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL5135333 0.89 IGF1R (0.87) IGF1RCYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL5140708 0.89 IGF1R (0.79) IGF1RCYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL5135610 0.89 IGF1R (0.79) IGF1RCYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL14535403 0.89 IGF1R (0.65) IGF1RCYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL5072442 0.89 IGF1R (0.87) IGF1RCYP3A4CYP2C19CYP1A2CYP2C9

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
US-7223757-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-29 — — US disclosed
US-7081454-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB CO. (US) 2006-07-25 — — US disclosed
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