SCHEMBL30689455

SCHEMBL30689455

CN(C)CCCOc1ccc(-c2ccc3ncc4nnc(N5CCCCC5)n4c3n2)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 10/20 0.44
▸ CTSK P43235 8/20 0.43
▸ ATM Q13315 9/20 0.38
▸ PRKDC P78527 1/20 0.38

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
SCHEMBL21541777 1.00 CTSS (0.44) CTSSCTSKATMPRKDC
SCHEMBL21541731 0.89 CTSS (0.42) CTSSCTSKATMPRKDC
SCHEMBL21541816 0.88 CTSS (0.42) CTSSCTSKATMPRKDC
SCHEMBL21541869 0.88 CTSS (0.44) CTSSCTSKATMPRKDC
SCHEMBL21541789 0.87 ATM (0.48) CTSSCTSKATMPRKDC
SCHEMBL21541751 0.81 PRKDC (0.59) CTSSCTSKATMPRKDC
SCHEMBL29559426 0.81 PRKDC (0.59) CTSSCTSKATMPRKDC
SCHEMBL21541788 0.80 ATM (0.45) CTSSCTSKATMPRKDC
SCHEMBL21541808 0.79 S1PR1 (0.37) —
SCHEMBL21541838 0.78 ATM (0.39) CTSSATMPRKDC

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-3567041-B1 SUBSTITUTED FUSED HETEROARYL COMPOUND SERVING AS A KINASE INHIBITOR, AND APPLICATIONS THEREOF IMPACT THERAPEUTICS SHANGHAI INC (CN) 2023-12-27 — — EP disclosed
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