SCHEMBL31746904

SCHEMBL31746904

Cn1ncc2c(C#N)cc(Nc3cccc4ccn(CC(=O)NCC(F)(F)F)c(=O)c34)cc21

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
MALT1 Q9UDY8 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
DDR1 Q08345 1/20 0.33
LMNA P02545 3/20 0.33
USP2 O75604 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SCN9A Q15858 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
RAB9A P51151 2/20 0.32
POLB P06746 1/20 0.32
FGFR3 P22607 1/20 0.32
AR P10275 1/20 0.32
NLRP3 Q96P20 1/20 0.32

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
SCHEMBL25073851 1.00 KDM4E (0.34) KDM4EMALT1TRPV1DDR1LMNA
SCHEMBL25073789 0.89 KDM4E (0.35) KDM4EMALT1DDR1LMNAUSP2
SCHEMBL30279110 0.89 KDM4E (0.35) KDM4EMALT1DDR1LMNAUSP2
SCHEMBL25073852 0.86 KDM4E (0.36) KDM4ETRPV1LMNAUSP2MAPK1
SCHEMBL31746950 0.86 KDM4E (0.36) KDM4ETRPV1LMNAUSP2MAPK1
SCHEMBL25073892 0.84 DDR1 (0.39) KDM4EDDR1LMNAUSP2MAPK1
SCHEMBL31746926 0.84 DDR1 (0.39) KDM4EDDR1LMNAUSP2MAPK1
SCHEMBL31746951 0.84 KMT2A (0.35) KDM4ELMNAUSP2MAPK1HTT
SCHEMBL25073849 0.84 KMT2A (0.35) KDM4ELMNAUSP2MAPK1HTT
SCHEMBL25073876 0.84 NOTUM (0.38) KDM4ETRPV1KMT2AMEN1RAB9A

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
EP-4387963-B1 PHENYL- AND PYRIDOPYRAZOLE DERIVATIVES AS INHIBITORS OF DDR1 REDX PHARMA LTD (GB) 2025-12-24 EP disclosed