SCHEMBL19545240

SCHEMBL19545240

O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CCCC2)c(Br)c1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 20/20 0.60
▸ KCNH2 Q12809 1/20 0.57

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
SCHEMBL23664116 0.98 ABL1 (0.59) ABL1KCNH2
SCHEMBL15391653 0.92 ABL1 (0.70) ABL1KCNH2
SCHEMBL23664079 0.91 ABL1 (0.70) ABL1KCNH2
SCHEMBL19904278 0.91 ABL1 (0.69) ABL1KCNH2
SCHEMBL23664096 0.91 ABL1 (0.71) ABL1KCNH2
SCHEMBL19881056 0.90 ABL1 (0.60) ABL1KCNH2
SCHEMBL19904471 0.90 ABL1 (0.60) ABL1KCNH2
SCHEMBL23664091 0.89 ABL1 (0.64) ABL1
SCHEMBL21456915 0.89 ABL1 (0.65) ABL1KCNH2
SCHEMBL31391018 0.89 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4122928-A1 SOLID FORM OF PYRAZINE SUBSTITUTED NICOTINAMIDE, AND PREPARATION AND USE THEREOF Shenzhen TargetRx, Inc. (CN) 2023-01-25 — — EP disclosed
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
WO-2021143927-A1 COMPOUND ACTING AS BCR-ABL INHIBITOR 正大天晴药业集团股份有限公司 2021-07-22 — — WO disclosed
EP-2858988-B1 BENZAMIDE DERIVATIVES FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 NOVARTIS AG (CH) 2018-02-28 — — EP disclosed
EP-2861579-B1 BENZAMIDE DERIVATIVES FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 NOVARTIS AG (CH) 2018-02-21 — — EP disclosed
WO-2017186148-A1 NOVEL HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE BCR-ABL INHIBITORS ASTAR BIOTECH LLC (US) 2017-11-02 — — WO disclosed
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