SCHEMBL16385270

SCHEMBL16385270

CCNC(=O)C(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCC(N(C)C)CC3)cc2OC)ncc1Cl

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 14/20 0.81
▸ EGFR P00533 5/20 0.81
▸ INSR P06213 6/20 0.68
▸ IGF1R P08069 6/20 0.68
▸ AURKA O14965 2/20 0.68
▸ ROS1 P08922 2/20 0.68
▸ EML4 Q9HC35 1/20 0.68
▸ PLK1 P53350 2/20 0.64
▸ ZAP70 P43403 2/20 0.63
▸ MAPK8 P45983 2/20 0.62
▸ MAPK9 P45984 2/20 0.62
▸ MAPK10 P53779 2/20 0.62
▸ CDC7 O00311 1/20 0.61
▸ PLK4 O00444 1/20 0.61
▸ CHEK1 O14757 1/20 0.61
▸ DCLK1 O15075 1/20 0.61
▸ PDPK1 O15530 1/20 0.61
▸ DAPK3 O43293 1/20 0.61
▸ DYRK3 O43781 1/20 0.61
▸ JAK2 O60674 1/20 0.61

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
SCHEMBL19766686 0.93 ALK (0.79) ALKEGFRINSRIGF1RAURKA
SCHEMBL16371126 0.92 ALK (0.78) ALKEGFRINSRIGF1RAURKA
SCHEMBL16372087 0.92 ALK (0.85) ALKEGFRINSRIGF1RAURKA
SCHEMBL16371168 0.92 ALK (0.85) ALKEGFRINSRIGF1RAURKA
SCHEMBL16385713 0.91 ALK (0.82) ALKEGFRINSRIGF1RAURKA
SCHEMBL16371316 0.90 ALK (0.87) ALKEGFRINSRIGF1RAURKA
SCHEMBL16371266 0.90 ALK (0.87) ALKEGFRINSRIGF1RAURKA
SCHEMBL16371599 0.90 ALK (0.81) ALKEGFRINSRIGF1RAURKA
SCHEMBL16371604 0.90 ALK (0.86) ALKEGFRINSRIGF1RAURKA
SCHEMBL16371803 0.90 ALK (1.00) ALKEGFRINSRIGF1RAURKA

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
WO-2015003658-A1 PROTEIN TYROSINE KINASE MODULATORS AND METHODS OF USE BETTA PHARMACEUTICALS CO., LTD (CN) 2015-01-15 — — WO disclosed
Send feedback