SCHEMBL30843285

SCHEMBL30843285

COC(=O)c1ccc(Cl)c2cnn(Cc3ccc(C4CCC4)c(F)c3)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
P2RX7 Q99572 1/20 0.36
FGFR1 P11362 1/20 0.35
FGFR4 P22455 1/20 0.35
PANK3 Q9H999 3/20 0.35
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
OPRL1 P41146 1/20 0.34
MAPT P10636 1/20 0.34
TRPV4 Q9HBA0 1/20 0.33
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
DRD4 P21917 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
OPRK1 P41145 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
SCHEMBL21458231 1.00 ALOX5AP (0.36) ALOX5APFEN1P2RX7FGFR1FGFR4
SCHEMBL30843253 0.84 FGFR1 (0.36) ALOX5APFEN1P2RX7FGFR1FGFR4
SCHEMBL21458240 0.84 FGFR1 (0.36) ALOX5APFEN1P2RX7FGFR1FGFR4
SCHEMBL21458308 0.83 P2RX7 (0.39) P2RX7FGFR1FGFR4KMT2ASMN1; SMN2
SCHEMBL30843257 0.83 P2RX7 (0.39) P2RX7FGFR1FGFR4KMT2ASMN1; SMN2
SCHEMBL21506727 0.82 CNR2 (0.38) JAK2
SCHEMBL21506728 0.82 CNR2 (0.44) OPRL1
SCHEMBL21458267 0.80 PTGER4 (0.41) KMT2AOPRL1MDM2
SCHEMBL21481863 0.80 PTGER4 (0.41) KMT2AOPRL1MDM2
SCHEMBL21458317 0.77 NPBWR1 (0.39) KMT2ASMN1; SMN2MAPT

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
CN-112313208-B Bicyclic carboxamides and methods of use thereof 泰普斯特医疗公司 2024-04-19 CN disclosed