SCHEMBL23958958

SCHEMBL23958958

O=C(Nc1ccc(OC(F)(Cl)CF)cc1)c1cnc(N2CC[C@@H](F)C2)c(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 20/20 0.55
▸ KCNH2 Q12809 2/20 0.55
▸ BCR P11274 1/20 0.53
▸ CRBN Q96SW2 1/20 0.53

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
SCHEMBL31391018 0.91 ABL1 (0.65) ABL1KCNH2BCRCRBN
SCHEMBL20419223 0.91 ABL1 (0.65) ABL1KCNH2BCRCRBN
SCHEMBL21456915 0.91 ABL1 (0.65) ABL1KCNH2BCRCRBN
SCHEMBL23664220 0.91 ABL1 (0.65) ABL1KCNH2BCRCRBN
SCHEMBL15388504 0.85 ABL1 (0.74) ABL1KCNH2BCRCRBN
SCHEMBL15388565 0.85 ABL1 (0.74) ABL1KCNH2BCRCRBN
SCHEMBL29421227 0.85 ABL1 (0.74) ABL1KCNH2BCRCRBN
SCHEMBL15388503 0.85 ABL1 (0.74) ABL1KCNH2BCRCRBN
SCHEMBL23664091 0.85 ABL1 (0.64) ABL1
SCHEMBL15388213 0.84 ABL1 (0.76) ABL1

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
WO-2021213380-A1 SOLID FORM OF PYRAZINE SUBSTITUTED NICOTINAMIDE, AND PREPARATION AND USE THEREOF 深圳市塔吉瑞生物医药有限公司 (CN) 2021-10-28 — — WO disclosed
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