SCHEMBL31180433

SCHEMBL31180433

N#CCc1cnn(C2CCCCO2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 1/20 0.36
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
PDE8B O95263 1/20 0.32
FLT3 P36888 2/20 0.32
FGFR1 P11362 2/20 0.32
FGFR2 P21802 1/20 0.32
FGFR4 P22455 1/20 0.32
FGFR3 P22607 1/20 0.32
KDR P35968 1/20 0.32
CYP4F2 P78329 3/20 0.32
CYP4A11 Q02928 3/20 0.32
S1PR1 P21453 1/20 0.31
SYK P43405 1/20 0.31
AURKB Q96GD4 1/20 0.31
MCL1 Q07820 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
SCHEMBL13035401 0.81 GABRA1 (0.39) KDM5BRXRARXRBRXRGALDH1A1
SCHEMBL29525193 0.81 KDM5B (0.40) KDM5BRXRARXRBRXRGALDH1A1
SCHEMBL22774288 0.81 KDM5B (0.40) KDM5BRXRARXRBRXRGALDH1A1
SCHEMBL878011 0.81 KDM5B (0.38) KDM5BRXRARXRBRXRGALDH1A1
SCHEMBL31510377 0.81 KDM5B (0.40) KDM5BRXRARXRBRXRGALDH1A1
SCHEMBL35212261 0.79 FLT3 (0.38) KDM5BRXRARXRBRXRGALDH1A1
SCHEMBL15123779 0.78 KDM5B (0.38) KDM5BRXRARXRBRXRGALDH1A1
SCHEMBL15286385 0.78 KDM5B (0.39) KDM5BRXRARXRBRXRGALDH1A1
SCHEMBL15760929 0.78 RXRA (0.38) KDM5BRXRARXRBRXRGALDH1A1
SCHEMBL17007901 0.76 KDM5B (0.37) KDM5BRXRARXRBRXRGALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4716532-A2 BICYCLIC HETEROARYL COMPOUNDS Quantx Biosciences US, Inc. (US) 2026-04-01 EP disclosed
EP-4702015-A1 CDK2 INHIBITORS AND METHODS OF USING SAME Shenzhen Ionova Life Science Co., Ltd. (CN) 2026-03-04 EP disclosed
WO-2024243304-A2 BICYCLIC HETEROARYL COMPOUNDS QUANTX BIOSCIENCES US, INC. (US) 2024-11-28 WO disclosed
WO-2024222678-A1 CDK2 INHIBITORS AND METHODS OF USING SAME SHENZHEN IONOVA LIFE SCIENCE CO., LTD. (CN) 2024-10-31 WO disclosed