SCHEMBL29864087

SCHEMBL29864087

Cn1cc(C(F)(F)F)nc1-c1ccc(CBr)cc1F

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP1 O94782 14/20 0.43
MMP13 P45452 1/20 0.40
PTGS2 P35354 1/20 0.36
HDAC1 Q13547 4/20 0.36
HDAC6 Q9UBN7 4/20 0.36
HDAC5 Q9UQL6 4/20 0.36
HDAC8 Q9BY41 3/20 0.36

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
SCHEMBL25791870 1.00 USP1 (0.43) USP1MMP13PTGS2HDAC1HDAC6
SCHEMBL31496744 0.91 USP1 (0.38) USP1MMP13PTGS2HDAC1HDAC6
SCHEMBL29295998 0.88 USP1 (0.44) USP1MMP13PTGS2HDAC1HDAC6
SCHEMBL29864073 0.88 USP1 (0.37) USP1MMP13PTGS2
SCHEMBL30320395 0.87 USP1 (0.43) USP1MMP13PTGS2HDAC1HDAC6
SCHEMBL22143119 0.87 USP1 (0.45) USP1PTGS2
SCHEMBL22143054 0.87 USP1 (0.43) USP1MMP13PTGS2HDAC1HDAC6
SCHEMBL18865694 0.87 USP1 (0.43) USP1MMP13PTGS2HDAC1HDAC6
SCHEMBL30320408 0.86 USP1 (0.44) USP1MMP13PTGS2HDAC1HDAC6
SCHEMBL25791872 0.86 USP1 (0.44) USP1MMP13PTGS2HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024083237-A1 SUBSTITUTED HETEROARYL BICYCLIC COMPOUNDS AS USP1 INHIBITORS AND THE USE THEREOF IMPACT THERAPEUTICS (SHANGHAI) , INC (CN) 2024-04-25 WO disclosed
EP-4291559-A1 PYRROLO[3,2-D]PYRIMIDINE COMPOUNDS AND METHODS OF USE IN THE TREATMENT OF CANCER Tango Therapeutics, Inc. (US) 2023-12-20 EP disclosed
EP-4161494-A1 NITROGEN-CONTAINING FUSED BICYCLIC COMPOUNDS AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. (US) 2023-04-12 EP disclosed
WO-2022174184-A1 PYRROLO[3,2-D]PYRIMIDINE COMPOUNDS AND METHODS OF USE IN THE TREATMENT OF CANCER TANGO THERAPEUTICS, INC. (US) 2022-08-18 WO disclosed