SCHEMBL31746961

SCHEMBL31746961

COc1cncc(NC(=O)Cn2ccc3cccc(Nc4ccc5c(cnn5C)c4)c3c2=O)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MAPK1 P28482 1/20 0.42
POLB P06746 2/20 0.41
NTRK1 P04629 2/20 0.40
PSMB5 P28074 1/20 0.40
NTSR1 P30989 2/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 2/20 0.37
MAPT P10636 2/20 0.37
TSHR P16473 1/20 0.37
FPR1 P21462 1/20 0.37
FPR2 P25090 1/20 0.37

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
SCHEMBL25073750 1.00 NOTUM (0.43) NOTUMKDM4EMAPK1POLBNTRK1
SCHEMBL25073817 0.92 POLB (0.49) NOTUMKDM4EMAPK1POLBPSMB5
SCHEMBL31746888 0.92 POLB (0.49) NOTUMKDM4EMAPK1POLBPSMB5
SCHEMBL25073746 0.92 KDM4E (0.48) NOTUMKDM4EMAPK1POLBPSMB5
SCHEMBL31746886 0.90 NOTUM (0.41) NOTUMKDM4EPOLBNTRK1NTSR1
SCHEMBL25073820 0.90 NOTUM (0.41) NOTUMKDM4EPOLBNTRK1NTSR1
SCHEMBL31746956 0.89 NOTUM (0.42) NOTUMKDM4EPOLBNTRK1NTSR1
SCHEMBL25073855 0.89 NOTUM (0.42) NOTUMKDM4EPOLBNTRK1NTSR1
SCHEMBL25073779 0.87 KDM4E (0.47) NOTUMKDM4EMAPK1NTSR1ALDH1A1
SCHEMBL31746968 0.87 KDM4E (0.47) NOTUMKDM4EMAPK1NTSR1ALDH1A1

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