SCHEMBL29914166

SCHEMBL29914166

Cc1cc(C(F)(F)F)nn1-c1ccc(Cn2cnc3cncnc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP1 O94782 15/20 0.57
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
STIM1 Q13586 2/20 0.42
ORAI1 Q96D31 2/20 0.42
WDR48 Q8TAF3 1/20 0.42
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
LTA4H P09960 1/20 0.37

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
SCHEMBL29914153 0.84 USP1 (0.61) USP1STIM1ORAI1WDR48
SCHEMBL30017039 0.79 USP1 (0.63) USP1STIM1ORAI1WDR48
SCHEMBL22122048 0.78 USP1 (0.80) USP1WDR48
SCHEMBL30707810 0.78 USP1 (0.80) USP1WDR48
SCHEMBL6946826 0.77 HDAC6 (0.62) HDAC1HDAC6USP2CYP1A2CYP3A4
SCHEMBL30816531 0.77 USP1 (0.59) USP1STIM1ORAI1WDR48USP2
SCHEMBL6944736 0.75 HDAC1 (0.62) HDAC1HDAC6USP2CYP1A2CYP3A4
SCHEMBL22122054 0.74 USP1 (1.00) USP1WDR48
SCHEMBL22122063 0.73 USP1 (0.48) USP1STIM1ORAI1CYP1A2CYP3A4
SCHEMBL25202898 0.72 USP1 (0.56) USP1STIM1ORAI1WDR48

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
WO-2022228399-A1 TRICYCLIC USP1 INHIBITOR AND USE THEREOF 山东轩竹医药科技有限公司 2022-11-03 WO disclosed