SCHEMBL26070319

SCHEMBL26070319

Cc1cc(C(F)(F)F)cc(-c2nn[nH]c2C#N)c1F

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ CYP1A2 P05177 2/20 0.33
▸ METAP2 P50579 2/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ GPBAR1 Q8TDU6 1/20 0.32
▸ IKBKB O14920 1/20 0.31
▸ SHMT1 P34896 2/20 0.31
▸ NOTUM Q6P988 1/20 0.31
▸ NLRP3 Q96P20 1/20 0.31
▸ DHODH Q02127 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
SCHEMBL18003747 0.85 CTSS (0.33) CTSSCTSKCYP1A2METAP2
SCHEMBL18004000 0.80 CTSS (0.43) CTSSCTSKCYP1A2METAP2IKBKB
SCHEMBL18004266 0.79 CTSS (0.36) CTSSCTSKCYP1A2METAP2PTGDR2
SCHEMBL18004215 0.77 NOTUM (0.41) CTSSCTSKCYP1A2METAP2IKBKB
SCHEMBL26070294 0.77 CTSK (0.37) CTSSCTSKCYP1A2METAP2IKBKB
SCHEMBL18003772 0.77 AR (0.35) CTSSCTSKCYP1A2METAP2PTGDR2
SCHEMBL16399113 0.76 CTSS (0.36) CTSSCTSKCYP1A2METAP2IKBKB
SCHEMBL18005549 0.76 KDM4E (0.31) CTSSCTSK
SCHEMBL26070221 0.76 DAO (0.30) —
SCHEMBL18003856 0.76 CTSS (0.38) CTSSCTSKCYP1A2METAP2IKBKB

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
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 — — EP disclosed
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