SCHEMBL30114682

SCHEMBL30114682

CSc1cnc(Nc2ccc(C(=O)Nc3c(F)cccc3F)cc2)nc1-c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.48
BCR P11274 3/20 0.48
PDGFRB P09619 2/20 0.48
PDGFRA P16234 2/20 0.48
HDAC1 Q13547 1/20 0.48
AURKA O14965 1/20 0.45
ABL2 P42684 1/20 0.44

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
SCHEMBL20188754 1.00 ABL1 (0.48) ABL1BCRPDGFRBPDGFRAHDAC1
SCHEMBL20188007 0.87 AURKA (0.45) AURKA
SCHEMBL21799119 0.80
SCHEMBL20188270 0.79
SCHEMBL30114704 0.79
SCHEMBL21799086 0.78 AURKA (0.49) AURKA
SCHEMBL20188707 0.76 AURKA (0.47) AURKA
SCHEMBL20188200 0.75 AURKA (0.53) AURKA
SCHEMBL30114845 0.75 AURKA (0.53) AURKA
SCHEMBL20188260 0.75 AURKA (0.58) ABL1BCRPDGFRBPDGFRAAURKA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3544685-B1 HETROARYLAMINE COMPOUNDS FOR MODULATING THE HEDGEHOG PATHWAY AND PREPARING METHOD AND USES THEREOF DEV CT BIOTECHNOLOGY (TW) 2023-01-04 EP claimed
CN-110139692-B Heteroaryl amine compounds for modulating hedgehog pathway and methods of making and using the same 财团法人生物技术开发中心 2023-08-25 CN disclosed
EP-3544685-B1 HETROARYLAMINE COMPOUNDS FOR MODULATING THE HEDGEHOG PATHWAY AND PREPARING METHOD AND USES THEREOF DEV CT BIOTECHNOLOGY (TW) 2023-01-04 EP disclosed