SCHEMBL21477625

SCHEMBL21477625

CN(I)[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2-c2cccnn2)C1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 20/20 0.65
▸ KCNH2 Q12809 2/20 0.58
▸ BCR P11274 1/20 0.58
▸ CRBN Q96SW2 1/20 0.58

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
SCHEMBL21456904 0.94 ABL1 (0.67) ABL1KCNH2BCRCRBN
SCHEMBL21456902 0.94 ABL1 (0.67) ABL1KCNH2BCRCRBN
SCHEMBL21456907 0.89 ABL1 (0.79) ABL1KCNH2BCRCRBN
SCHEMBL21477623 0.89 ABL1 (0.69) ABL1KCNH2BCRCRBN
SCHEMBL21456905 0.89 ABL1 (0.79) ABL1KCNH2BCRCRBN
SCHEMBL22711578 0.89 ABL1 (0.69) ABL1KCNH2BCRCRBN
SCHEMBL21477624 0.89 ABL1 (0.64) ABL1KCNH2BCRCRBN
SCHEMBL21480436 0.86 ABL1 (0.60) ABL1KCNH2BCRCRBN
SCHEMBL22725542 0.85 ABL1 (0.63) ABL1
SCHEMBL21480438 0.84 ABL1 (0.60) ABL1KCNH2BCRCRBN

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-3553056-A1 (HETERO)ARYLAMIDE COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY Shenzhen Targetrx, Inc. (CN) 2019-10-16 — — EP disclosed
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