SCHEMBL31648715

SCHEMBL31648715

CCOC(=O)Cn1nc2c(c1C(F)(F)F)CC(CC)C2C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.40
▸ TRPM2 O94759 1/20 0.39
▸ POLQ O75417 4/20 0.39
▸ MAPK1 P28482 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ CYP2C19 P33261 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ AR P10275 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HTT P42858 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
SCHEMBL31648724 0.86 POLQ (0.41) POLQTSHR
SCHEMBL14487510 0.81 PTGS2 (0.40) PTGS2TRPM2POLQMAPK1POLB
SCHEMBL31648679 0.79 POLQ (0.43) PTGS2TRPM2POLQMAPK1POLB
SCHEMBL31648550 0.78 TRPM2 (0.42) PTGS2TRPM2POLQMAPK1POLB
SCHEMBL31648799 0.75 PTGS2 (0.41) PTGS2TRPM2POLQMAPK1POLB
SCHEMBL14488499 0.75 PTGS2 (0.43) PTGS2TRPM2POLQMAPK1POLB
SCHEMBL14484700 0.75 PTGS2 (0.43) PTGS2TRPM2POLQMAPK1POLB
SCHEMBL14484403 0.73 POLQ (0.58) PTGS2TRPM2POLQMAPK1POLB
Hydrochloric Acid SCHEMBL31648774 0.72 POLQ (0.38) PTGS2TRPM2POLQMAPK1POLB
SCHEMBL14555698 0.71 TRPM2 (0.42) PTGS2TRPM2POLQMAPK1POLB

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-2025132946-A1 PHENYLPYRROLIDINE DERIVATIVES AND THEIR USE AS POI-THETA DERIVATIVES BREAKPOINT THERAPEUTICS GMBH (DE) 2025-06-26 — — WO disclosed
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