SCHEMBL23522304

SCHEMBL23522304

CN(C)[C@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2-c2cnccn2)C1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 20/20 0.66
▸ KCNH2 Q12809 2/20 0.63
▸ BCR P11274 1/20 0.60
▸ CRBN Q96SW2 1/20 0.60

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
SCHEMBL21456906 1.00 ABL1 (0.66) ABL1KCNH2BCRCRBN
SCHEMBL21456903 1.00 ABL1 (0.66) ABL1KCNH2BCRCRBN
SCHEMBL21477624 0.94 ABL1 (0.64) ABL1KCNH2BCRCRBN
SCHEMBL26520431 0.90 ABL1 (0.68) ABL1KCNH2BCRCRBN
SCHEMBL21477626 0.90 ABL1 (0.70) ABL1KCNH2BCRCRBN
SCHEMBL22711583 0.90 ABL1 (0.70) ABL1KCNH2BCRCRBN
SCHEMBL22711587 0.90 ABL1 (0.80) ABL1KCNH2BCRCRBN
SCHEMBL21477576 0.90 ABL1 (0.80) ABL1KCNH2BCRCRBN
Hydrochloric Acid SCHEMBL30091086 0.89 ABL1 (0.69) ABL1KCNH2BCRCRBN
Hydrochloric Acid SCHEMBL28902253 0.89 ABL1 (0.69) 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-3838897-A2 (HETERO)ARYLAMIDE COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY Shenzhen TargetRx, Inc. (CN) 2021-06-23 — — EP disclosed
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