SCHEMBL29864073

SCHEMBL29864073

Cc1cc(CBr)ccc1-c1nc(C(F)(F)F)cn1C

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
USP1 O94782 14/20 0.37
MMP13 P45452 1/20 0.36
HSD11B1 P28845 2/20 0.35
PTGS2 P35354 2/20 0.35
HTT P42858 1/20 0.35
PTGS1 P23219 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
SCHEMBL29864087 0.88 USP1 (0.43) USP1MMP13PTGS2
SCHEMBL25791870 0.88 USP1 (0.43) USP1MMP13PTGS2
SCHEMBL29863823 0.86 USP1 (0.39) USP1HSD11B1PTGS2PTGS1
SCHEMBL27031444 0.86 LOXL2 (0.41) USP1HSD11B1PTGS2PTGS1
SCHEMBL29879001 0.86 LOXL2 (0.41) USP1HSD11B1PTGS2PTGS1
SCHEMBL30966298 0.85 USP1 (0.44) USP1MMP13PTGS2PTGS1
SCHEMBL27031631 0.82 HTT (0.43) PTGS2HTTPTGS1
SCHEMBL23244678 0.80 USP1 (0.45) USP1PTGS2
SCHEMBL31496744 0.80 USP1 (0.38) USP1MMP13PTGS2HTTPTGS1
SCHEMBL29864018 0.78 HSD11B1 (0.35) USP1HSD11B1PTGS2

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-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
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