SCHEMBL31622889

SCHEMBL31622889

Cc1cc(-c2nn[nH]c2C#N)ccc1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GPR52 Q9Y2T5 3/20 0.38
▸ MPO P05164 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ TNF P01375 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NOD2 Q9HC29 1/20 0.36
▸ NOD1 Q9Y239 1/20 0.36
▸ LTA4H P09960 1/20 0.36
▸ HTR2C P28335 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ DAO P14920 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ AKT1 P31749 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
SCHEMBL16399966 1.00 GPR52 (0.38) GPR52MPOPOLBMEN1TNF
SCHEMBL18004156 0.86 MPO (0.38) GPR52MPOPOLBMEN1TNF
SCHEMBL18003910 0.86 POLB (0.42) MPOPOLBMEN1TNFKMT2A
SCHEMBL18004255 0.82 POLB (0.37) GPR52POLBMEN1TNFKMT2A
SCHEMBL18004356 0.82 PTPN5 (0.36) MPOPOLBMEN1TNFKMT2A
SCHEMBL18004166 0.81 MPO (0.37) GPR52MPOPOLBMEN1TNF
SCHEMBL1250227 0.81 CTSS (0.49) KDM4E
SCHEMBL18004375 0.80 MEN1 (0.37) POLBMEN1TNFKMT2ANOD2
SCHEMBL18004373 0.80 CTSS (0.36) MPOPOLBMEN1TNFKMT2A
SCHEMBL18004934 0.78 IDO1 (0.43) POLBMEN1TNFKMT2ANOD2

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-4570313-A2 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2025-06-18 — — EP disclosed
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