SCHEMBL31746934

SCHEMBL31746934

Cn1ncc2cc(Nc3cccc4ccn(CC(=O)NC(c5ccccc5)C(F)(F)F)c(=O)c34)ccc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.40
MAPK1 P28482 6/20 0.40
NOTUM Q6P988 1/20 0.38
NTSR1 P30989 4/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
RAB9A P51151 1/20 0.37
SYK P43405 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK10 P53779 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
NR3C1 P04150 1/20 0.34
TGFBR1 P36897 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
SCHEMBL25073758 1.00 IRAK4 (0.40) IRAK4MAPK1NOTUMNTSR1NPC1
SCHEMBL31746903 0.91 GRIN2B (0.41) IRAK4NOTUMNTSR1NPC1ALDH1A1
SCHEMBL31746965 0.91 GRIN2B (0.41) IRAK4NOTUMNTSR1NPC1ALDH1A1
SCHEMBL25073780 0.91 GRIN2B (0.41) IRAK4NOTUMNTSR1NPC1ALDH1A1
SCHEMBL25073854 0.91 GRIN2B (0.41) IRAK4NOTUMNTSR1NPC1ALDH1A1
SCHEMBL31746907 0.91 GRIN2B (0.41) IRAK4NOTUMNTSR1NPC1ALDH1A1
SCHEMBL25073916 0.91 GRIN2B (0.41) IRAK4NOTUMNTSR1NPC1ALDH1A1
SCHEMBL25073747 0.88 NOTUM (0.37) IRAK4NOTUMNTSR1NPC1ALDH1A1
SCHEMBL25073924 0.88 NTSR1 (0.38) IRAK4MAPK1NOTUMNTSR1NPC1
SCHEMBL25073749 0.88 IRAK4 (0.37) IRAK4NOTUMNTSR1NPC1ALDH1A1

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