SCHEMBL3686711

SCHEMBL3686711

CCCN1CCC(COc2ccc(Nc3cc4c(Nc5cccc(F)c5C(N)=O)cncc4[nH]3)c(OC)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 11/20 0.50
▸ MAPK8 P45983 9/20 0.50
▸ GRK2 P25098 2/20 0.48
▸ GRK5 P34947 2/20 0.48
▸ GRK1 Q15835 1/20 0.48
▸ INSR P06213 1/20 0.37
▸ MAPK10 P53779 1/20 0.37
▸ ALK Q9UM73 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ HTR4 Q13639 4/20 0.37
▸ HTR7 P34969 3/20 0.37
▸ HTR2B P41595 3/20 0.37
▸ HTR2C P28335 2/20 0.37
▸ HTR3A P46098 2/20 0.37
▸ CAMK2D Q13557 1/20 0.37
▸ HTR1D P28221 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ P2RY1 P47900 1/20 0.36
▸ HTR1A P08908 1/20 0.35

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
SCHEMBL3749350 0.88 IGF1R (0.50) IGF1RMAPK8GRK2GRK5GRK1
SCHEMBL3684982 0.87 IGF1R (0.43) IGF1RMAPK8GRK2GRK5GRK1
SCHEMBL3692378 0.86 IGF1R (0.43) IGF1RMAPK8GRK2GRK5GRK1
SCHEMBL3754829 0.82 IGF1R (0.52) IGF1RMAPK8GRK2GRK5GRK1
SCHEMBL3759311 0.81 IGF1R (0.49) IGF1RMAPK8GRK2GRK5GRK1
SCHEMBL3799415 0.80 IGF1R (0.52) IGF1RMAPK8GRK2GRK5GRK1
SCHEMBL12430018 0.79 IGF1R (0.76) IGF1RMAPK8GRK2GRK5GRK1
SCHEMBL2208489 0.79 IGF1R (0.51) IGF1RMAPK8GRK2GRK5GRK1
SCHEMBL3685605 0.79 IGF1R (0.47) IGF1RMAPK8GRK2GRK5GRK1
SCHEMBL3798693 0.77 IGF1R (0.50) IGF1RMAPK8GRK2GRK5GRK1

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
EP-2188292-A1 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) 2010-05-26 — — EP disclosed
WO-2009020990-A1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D] PYRIMIDIN-4-YL) AMINO] BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 — — WO disclosed
Send feedback