SCHEMBL21480509

SCHEMBL21480509

CN(I)[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2-c2cnsc2)C1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 20/20 0.62
▸ KCNH2 Q12809 1/20 0.62

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
SCHEMBL22817898 0.94 ABL1 (0.64) ABL1KCNH2
SCHEMBL20419091 0.94 ABL1 (0.64) ABL1KCNH2
SCHEMBL20419086 0.89 ABL1 (0.78) ABL1KCNH2
SCHEMBL20419087 0.89 ABL1 (0.69) ABL1KCNH2
SCHEMBL22817902 0.89 ABL1 (0.78) ABL1KCNH2
SCHEMBL22817907 0.89 ABL1 (0.69) ABL1KCNH2
SCHEMBL21480438 0.87 ABL1 (0.60) ABL1KCNH2
SCHEMBL21480436 0.87 ABL1 (0.60) ABL1KCNH2
SCHEMBL21477624 0.85 ABL1 (0.64) ABL1KCNH2
SCHEMBL22837852 0.85 ABL1 (0.65) ABL1KCNH2

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-3553057-A1 (HETERO)ARYLAMIDE COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY Shenzhen Targetrx, Inc. (CN) 2019-10-16 — — EP disclosed
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