SCHEMBL20922210

SCHEMBL20922210

Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1C#Cc1cnc2c(Nc3cnn(CCO)c3)cccn12

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 16/20 0.45
ABL2 P42684 1/20 0.43
BRAF P15056 2/20 0.40
CYP3A4 P08684 1/20 0.39
KCNH2 Q12809 1/20 0.39
ROR1 Q01973 1/20 0.39
KIT P10721 1/20 0.39

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
SCHEMBL20912688 0.94 ABL1 (0.43) ABL1BRAFCYP3A4KCNH2ROR1
SCHEMBL20912671 0.88 ABL1 (0.44) ABL1ABL2
SCHEMBL9610746 0.83 ABL1 (0.50) ABL1BRAFKIT
SCHEMBL20922059 0.81 BRAF (0.44) ABL1BRAF
SCHEMBL24403508 0.80 ABL1 (0.45) ABL1ABL2BRAF
SCHEMBL589268 0.79 ABL1 (0.56) ABL1ABL2ROR1
SCHEMBL20912667 0.79 FLT3 (0.40) ABL1KIT
SCHEMBL20912748 0.78 ABL1 (0.41) ABL1BRAF
SCHEMBL20921950 0.77 ABL1 (0.57) ABL1KIT
SCHEMBL24403450 0.77 KIT (0.49) ABL1ROR1KIT

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-3473624-A1 NOVEL IMIDAZOPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING CANCER Daegu-Gyeongbuk Medical Innovation Foundation (KR) 2019-04-24 EP disclosed