SCHEMBL29878992

SCHEMBL29878992

Cn1cc(C(F)(F)F)nc1-c1ccc(CNc2nc(Cl)ncc2N)cc1F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ USP1 O94782 12/20 0.39
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37
▸ PDE2A O00408 1/20 0.37
▸ CYP2C9 P11712 2/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ BCDIN3D Q7Z5W3 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL27031623 1.00 USP1 (0.39) USP1HDAC1HDAC8HDAC6HDAC5
SCHEMBL27097114 0.96 USP1 (0.37) USP1HDAC1HDAC8HDAC6HDAC5
SCHEMBL29879061 0.92 CSF1R (0.38) USP1PDE2ACSF1R
SCHEMBL27031470 0.92 CSF1R (0.38) USP1PDE2ACSF1R
SCHEMBL25430986 0.89 USP1 (0.38) USP1HDAC1HDAC8HDAC6HDAC5
SCHEMBL27031506 0.89 CSF1R (0.36) USP1PDE2ACSF1R
SCHEMBL29878443 0.89 CSF1R (0.36) USP1PDE2ACSF1R
SCHEMBL30032845 0.89 USP1 (0.39) USP1HDAC1HDAC8HDAC6HDAC5
SCHEMBL29296027 0.89 USP1 (0.39) USP1HDAC1HDAC8HDAC6HDAC5
SCHEMBL25978768 0.89 USP1 (0.39) USP1HDAC1HDAC8HDAC6HDAC5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4308566-A1 PURINE DERIVATIVES AS ANTICANCER AGENTS Tango Therapeutics, Inc. (US) 2024-01-24 — — EP disclosed
CN-117425656-A Purine derivatives as anticancer agents 探戈医药股份有限公司 2024-01-19 — — CN disclosed
WO-2022197892-A1 PURINE DERIVATIVES AS ANTICANCER AGENTS TANGO THERAPEUTICS, INC. (US) 2022-09-22 — — WO disclosed
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