SCHEMBL31314801

SCHEMBL31314801

C#Cc1cncc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.53
RAF1 P04049 2/20 0.53
GRM4 Q14833 1/20 0.53
LMNA P02545 2/20 0.52
GAA P10253 2/20 0.52
MAPT P10636 2/20 0.52
RAB9A P51151 1/20 0.51
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TMPRSS4 Q9NRS4 1/20 0.49
PDK1 Q15118 1/20 0.49
BRAF P15056 3/20 0.48
ABL1 P00519 2/20 0.47
BCR P11274 2/20 0.47
TRPV1 Q8NER1 1/20 0.46
KCNJ5 P48544 1/20 0.46
KCNJ3 P48549 1/20 0.46
KIT P10721 1/20 0.46

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
SCHEMBL26131577 1.00 KDR (0.53) KDRRAF1GRM4LMNAGAA
SCHEMBL22772368 0.84 LMNA (0.65) KDRRAF1GRM4LMNAGAA
SCHEMBL24153815 0.82 L3MBTL1 (0.62) KDRLMNAMAPTRAB9AMEN1
SCHEMBL21843539 0.79 RET (0.50) KDRMAPTRAB9AHTTKMT2A
SCHEMBL29063905 0.79 MAPT (0.68) KDRRAF1GRM4LMNAGAA
SCHEMBL22683074 0.79 MEN1 (0.65) KDRLMNAMAPTRAB9AMEN1
SCHEMBL31314816 0.79 MEN1 (0.65) KDRLMNAMAPTRAB9AMEN1
SCHEMBL16782084 0.77 KDR (0.69) KDRRAF1LMNAGAAMAPT
SCHEMBL10220049 0.77 KDR (0.76) KDRPDK1TRPV1KCNJ5KCNJ3
SCHEMBL22384734 0.77 KDR (0.68) KDRRAF1LMNAGAAMAPT

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-119451675-A Nicotinamide and benzamide based compounds, conjugates and compositions as inhibitors of translation and transcription related kinases 普渡研究基金会 2025-02-14 CN disclosed