SCHEMBL14980807

SCHEMBL14980807

Bc1ccc(N2CCN(C)CC2)cc1Nc1nc(Nc2ccccc2C(N)=O)c2cc[nH]c2n1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 15/20 0.65
▸ PTK2 Q05397 2/20 0.55
▸ MAPK8 P45983 3/20 0.54
▸ MAPK10 P53779 2/20 0.54
▸ INSR P06213 2/20 0.52
▸ ALK Q9UM73 2/20 0.52
▸ AURKB Q96GD4 2/20 0.52
▸ GRK5 P34947 3/20 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
SCHEMBL12429331 0.89 IGF1R (0.75) IGF1RPTK2MAPK8MAPK10INSR
SCHEMBL12429358 0.81 IGF1R (0.90) IGF1RMAPK8MAPK10INSRALK
SCHEMBL12429374 0.80 PTK2 (0.69) IGF1RPTK2MAPK8MAPK10INSR
SCHEMBL12429284 0.79 IGF1R (0.85) IGF1RPTK2MAPK8MAPK10INSR
SCHEMBL12429321 0.79 IGF1R (1.00) IGF1RPTK2MAPK8MAPK10INSR
SCHEMBL12429379 0.78 PTK2 (0.85) IGF1RPTK2MAPK8MAPK10INSR
SCHEMBL18696331 0.77 TTK (0.63) IGF1RPTK2ALK
SCHEMBL12430025 0.73 IGF1R (0.81) IGF1RMAPK8MAPK10INSRALK
SCHEMBL18018944 0.72 SRC (0.69) PTK2
SCHEMBL11919325 0.71 PTK2 (0.84) IGF1RPTK2INSRALK

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
EP-2188292-B1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D]PYRIMIDIN-4-YL) AMINO]BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER GLAXOSMITHKLINE IP DEV LTD (GB) 2013-05-29 — — EP disclosed
Send feedback