SCHEMBL31746962

SCHEMBL31746962

Cn1ncc2cc(Nc3cccc4ccn(CC(=O)NCCC(F)(F)F)c(=O)c34)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NOTUM Q6P988 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
POLB P06746 2/20 0.36
SYK P43405 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
MAPK8 P45983 1/20 0.34
MAPK10 P53779 1/20 0.34
USP2 O75604 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL25073742 1.00 RAB9A (0.37) RAB9AKMT2AMEN1NOTUMTRPV1
SCHEMBL25073876 0.92 NOTUM (0.38) RAB9AKMT2AMEN1NOTUMTRPV1
SCHEMBL30279213 0.92 NOTUM (0.38) RAB9AKMT2AMEN1NOTUMTRPV1
SCHEMBL25073853 0.88 NOTUM (0.40) RAB9AKMT2AMEN1NOTUMTRPV1
SCHEMBL25073915 0.87 NOTUM (0.38) RAB9AKMT2AMEN1NOTUMTRPV1
SCHEMBL25073745 0.87 NOTUM (0.38) RAB9AKMT2AMEN1NOTUMTRPV1
SCHEMBL25073854 0.86 GRIN2B (0.41) RAB9ANOTUMTRPV1NPC1ALDH1A1
SCHEMBL25073780 0.86 GRIN2B (0.41) RAB9ANOTUMTRPV1NPC1ALDH1A1
SCHEMBL31746903 0.86 GRIN2B (0.41) RAB9ANOTUMTRPV1NPC1ALDH1A1
SCHEMBL25073916 0.86 GRIN2B (0.41) RAB9ANOTUMTRPV1NPC1ALDH1A1

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