SCHEMBL30961397

SCHEMBL30961397

CC(=O)n1cc(-c2cnc(Cl)nc2Cl)cn1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.38
▸ AXL P30530 1/20 0.37
▸ GRM2 Q14416 1/20 0.32
▸ S1PR2 O95136 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL30961364 0.76 AXL (0.57) AXLGRM2S1PR2
SCHEMBL30961334 0.70 CCNC (0.37) AXLGRM2
SCHEMBL30961365 0.68 FEN1 (0.43) AXL
SCHEMBL30961453 0.67 IRAK4 (0.41) AXL
SCHEMBL4694939 0.67 PTGS2 (0.41) MAPTRAB9ASMN1; SMN2
SCHEMBL28430063 0.64 — —
SCHEMBL1320432 0.63 NFKB1 (0.49) RAB9ASMN1; SMN2
SCHEMBL3626896 0.63 ALDH1A1 (0.42) RAB9ASMN1; SMN2
SCHEMBL7495911 0.63 ABCC4 (0.46) —
SCHEMBL25329417 0.62 STK17B (0.42) BTK

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-2024125451-A1 PIPERINDIN-ONES DERIVATIVES, PREPARATION METHODS AND MEDICINAL USES THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-06-20 — — WO disclosed
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