SCHEMBL14535403

SCHEMBL14535403

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 19/20 0.65
▸ CYP3A4 P08684 10/20 0.64
▸ CYP2C19 P33261 7/20 0.64
▸ CYP1A2 P05177 6/20 0.64
▸ CYP2C9 P11712 6/20 0.64
▸ PTK2 Q05397 3/20 0.59
▸ EGFR P00533 2/20 0.59
▸ INSR P06213 2/20 0.59
▸ LCK P06239 2/20 0.59
▸ KDR P35968 2/20 0.59
▸ AURKA O14965 2/20 0.59
▸ AURKB Q96GD4 2/20 0.59
▸ ALK Q9UM73 2/20 0.59
▸ ERBB2 P04626 1/20 0.59
▸ MET P08581 1/20 0.59
▸ MAP2K1 Q02750 1/20 0.59
▸ PLK4 O00444 1/20 0.59
▸ CHEK1 O14757 1/20 0.59
▸ PDPK1 O15530 1/20 0.59
▸ DAPK3 O43293 1/20 0.59

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
SCHEMBL6096008 0.89 IGF1R (0.81) IGF1RCYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL14535564 0.86 IGF1R (0.67) IGF1RCYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL14535557 0.82 IGF1R (0.57) IGF1RCYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL5136755 0.81 IGF1R (0.79) IGF1RCYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL5136895 0.81 IGF1R (0.81) IGF1RCYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL14535405 0.79 IGF1R (0.66) IGF1RCYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL6096317 0.79 IGF1R (0.81) IGF1RCYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL3998266 0.79 IGF1R (0.78) IGF1RCYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL5072446 0.79 IGF1R (1.00) IGF1RCYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL5147090 0.78 IGF1R (1.00) 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 1 patent. 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
Send feedback