SCHEMBL31746956

SCHEMBL31746956

Cn1ncc2cc(Nc3cccc4ccn(CC(=O)Nc5cncnc5)c(=O)c34)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.42
NLRP3 Q96P20 1/20 0.39
NTSR1 P30989 1/20 0.38
NTRK1 P04629 1/20 0.38
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.37
VNN1 O95497 1/20 0.36
NAMPT P43490 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
SYK P43405 1/20 0.35
MAOB P27338 2/20 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
SCHEMBL25073855 1.00 NOTUM (0.42) NOTUMNLRP3NTSR1NTRK1ALDH1A1
SCHEMBL25073779 0.92 KDM4E (0.47) NOTUMNLRP3NTSR1ALDH1A1RAB9A
SCHEMBL31746968 0.92 KDM4E (0.47) NOTUMNLRP3NTSR1ALDH1A1RAB9A
SCHEMBL31746873 0.92 NOTUM (0.42) NOTUMNLRP3NTSR1ALDH1A1RAB9A
SCHEMBL25073816 0.92 NOTUM (0.42) NOTUMNLRP3NTSR1ALDH1A1RAB9A
SCHEMBL25073756 0.91 NOTUM (0.46) NOTUMNLRP3NTSR1ALDH1A1RAB9A
SCHEMBL31746915 0.91 NOTUM (0.46) NOTUMNLRP3NTSR1ALDH1A1RAB9A
SCHEMBL25073740 0.89 NOTUM (0.42) NOTUMNLRP3NTSR1ALDH1A1RAB9A
SCHEMBL31746913 0.89 NOTUM (0.42) NOTUMNLRP3NTSR1ALDH1A1RAB9A
SCHEMBL31162393 0.89 NOTUM (0.42) NOTUMNLRP3ALDH1A1RAB9ANPC1

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