SCHEMBL12510583

SCHEMBL12510583

COc1cc(N2CCC(C3CCN(CCS)CC3)CC2)ccc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 20/20 0.73
▸ MAPK8 P45983 12/20 0.73
▸ MAPK10 P53779 3/20 0.73
▸ ALK Q9UM73 2/20 0.73
▸ INSR P06213 1/20 0.73
▸ GRK5 P34947 2/20 0.64
▸ GRK2 P25098 1/20 0.64
▸ GRK1 Q15835 1/20 0.64
▸ CDC7 O00311 1/20 0.58
▸ PLK4 O00444 1/20 0.58
▸ CHEK1 O14757 1/20 0.58
▸ DAPK3 O43293 1/20 0.58
▸ PRKD3 O94806 1/20 0.58
▸ PRKCG P05129 1/20 0.58
▸ ROS1 P08922 1/20 0.58
▸ PIM1 P11309 1/20 0.58
▸ FER P16591 1/20 0.58
▸ LTK P29376 1/20 0.58
▸ AXL P30530 1/20 0.58
▸ MAPK9 P45984 1/20 0.58

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
SCHEMBL12429667 0.92 IGF1R (0.70) IGF1RMAPK8MAPK10ALKINSR
SCHEMBL12429695 0.88 IGF1R (0.73) IGF1RMAPK8MAPK10ALKINSR
SCHEMBL12429419 0.86 IGF1R (0.78) IGF1RMAPK8MAPK10ALKINSR
SCHEMBL12429698 0.86 IGF1R (0.69) IGF1RMAPK8MAPK10ALKINSR
SCHEMBL12430015 0.85 IGF1R (0.81) IGF1RMAPK8MAPK10ALKINSR
SCHEMBL12430025 0.85 IGF1R (0.81) IGF1RMAPK8MAPK10ALKINSR
SCHEMBL12429417 0.85 IGF1R (0.76) IGF1RMAPK8MAPK10ALKINSR
SCHEMBL12429410 0.85 IGF1R (0.76) IGF1RMAPK8MAPK10ALKINSR
SCHEMBL11919217 0.84 IGF1R (1.00) IGF1RMAPK8MAPK10ALKINSR
SCHEMBL14980817 0.84 IGF1R (0.73) IGF1RMAPK8MAPK10ALKINSR

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-7981903-B2 2-[2-{phenylamino}-1H-pyrrolo[2,3-D]pyrimidin-4-yl)amino] benzamide derivatives as IGF-1R inhibitors for the treatment of cancer GLAXOSMITHKLINE LLC (US) 2011-07-19 — — US disclosed
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