SCHEMBL24418232

SCHEMBL24418232

COc1ncc(-c2cc([C@H]3C[C@@H]3C(F)F)c(C#CC3CC3)nn2)c(OC)n1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.34

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
SCHEMBL24418181 1.00 NT5E (0.34) NT5E
SCHEMBL29639808 1.00 NT5E (0.34) NT5E
SCHEMBL29639799 1.00 NT5E (0.34) NT5E
SCHEMBL29639800 0.96 NT5E (0.33) NT5E
SCHEMBL24418161 0.96 NT5E (0.33) NT5E
SCHEMBL24418242 0.90 NT5E (0.36) NT5E
SCHEMBL24418488 0.90 NT5E (0.36) NT5E
SCHEMBL29639798 0.90 NT5E (0.36) NT5E
SCHEMBL24418455 0.88 NT5E (0.37) NT5E
SCHEMBL24418252 0.88 NT5E (0.37) NT5E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022095953-A1 PYRIDAZINE ALKYNE COMPOUNDS AND USE THEREOF 武汉人福创新药物研发中心有限公司 2022-05-12 WO disclosed
CN-114437038-A Pyridazine alkyne compound and application thereof 武汉人福创新药物研发中心有限公司 2022-05-06 CN disclosed