SCHEMBL30124611

SCHEMBL30124611

COCOc1c(-c2ccnc(F)c2)cc(F)cc1-c1ccc(-n2ccn(C)c2=O)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 1/20 0.35
▸ GRM1 Q13255 1/20 0.30
▸ GRM4 Q14833 1/20 0.30
▸ TGFBR1 P36897 1/20 0.30
▸ CSNK1D P48730 1/20 0.30
▸ CSNK1E P49674 1/20 0.30

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
SCHEMBL24720828 1.00 CAPN1 (0.35) CAPN1GRM1GRM4TGFBR1CSNK1D
SCHEMBL30124439 0.91 CAPN1 (0.37) CAPN1GRM1GRM4
SCHEMBL24719499 0.86 — —
SCHEMBL24720829 0.85 NMT1 (0.32) —
SCHEMBL30931077 0.85 NMT1 (0.32) —
SCHEMBL30124429 0.85 CAPN1 (0.36) CAPN1
SCHEMBL30124385 0.85 CAPN1 (0.37) CAPN1GRM1GRM4
SCHEMBL24719482 0.85 CAPN1 (0.42) CAPN1GRM1GRM4TGFBR1CSNK1D
SCHEMBL30124431 0.85 CAPN1 (0.40) CAPN1GRM1GRM4
SCHEMBL30124212 0.85 CAPN1 (0.42) CAPN1GRM1GRM4TGFBR1CSNK1D

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
EP-4351560-A1 ANTICANCER COMPOUNDS The Regents of the University of California (US) 2024-04-17 — — EP disclosed
WO-2022261204-A1 ANTICANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-12-15 — — WO disclosed
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