SCHEMBL31746957

SCHEMBL31746957

Cn1ncc2cc(Nc3cccc4ccn(CC(=O)Nc5cncc(C(F)(F)F)c5)c(=O)c34)cnc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.41
TAS2R14 Q9NYV8 1/20 0.39
MALT1 Q9UDY8 1/20 0.39
MAPT P10636 4/20 0.38
LMNA P02545 3/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
POLB P06746 1/20 0.37
FSCN1 Q16658 1/20 0.36
NLRP3 Q96P20 1/20 0.35
TRPA1 O75762 1/20 0.35
NTRK1 P04629 1/20 0.35
RECQL P46063 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL25073881 1.00 RXFP1 (0.41) RXFP1TAS2R14MALT1MAPTLMNA
SCHEMBL25073752 0.89 RXFP1 (0.39) RXFP1TAS2R14MAPTLMNAPOLB
SCHEMBL31746891 0.89 RXFP1 (0.39) RXFP1TAS2R14MAPTLMNAPOLB
SCHEMBL31746966 0.86 RXFP1 (0.40) RXFP1MAPTLMNATP53THRB
SCHEMBL25073805 0.86 RXFP1 (0.40) RXFP1MAPTLMNATP53THRB
SCHEMBL31746936 0.86 TAS2R14 (0.40) RXFP1TAS2R14MALT1MAPTLMNA
SCHEMBL25073832 0.86 TAS2R14 (0.40) RXFP1TAS2R14MALT1MAPTLMNA
SCHEMBL25073879 0.84 NLRP3 (0.37) RXFP1MALT1LMNATP53POLB
SCHEMBL31746919 0.84 NLRP3 (0.37) RXFP1MALT1LMNATP53POLB
SCHEMBL25073893 0.84 MALT1 (0.37) MALT1LMNATP53POLBKDM4E

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