SCHEMBL30368352

SCHEMBL30368352

Nc1ccnc(Nc2ccc(F)cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 7/20 0.69
KCNH2 Q12809 2/20 0.59
SCN5A Q14524 2/20 0.59
SCN9A Q15858 2/20 0.59
MAPK14 Q16539 5/20 0.54
MAPK1 P28482 5/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
LMNA P02545 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
MAPT P10636 1/20 0.53
ALOX12 P18054 1/20 0.53
MAPK8 P45983 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 6/20 0.43
CYP3A4 P08684 6/20 0.43
CYP2D6 P10635 6/20 0.43
CYP2C19 P33261 6/20 0.43
ALDH1A1 P00352 4/20 0.43

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
SCHEMBL26186466 1.00 MAPK10 (0.69) MAPK10KCNH2SCN5ASCN9AMAPK14
SCHEMBL4665722 0.87 KCNH2 (0.64) MAPK10KCNH2SCN5ASCN9AMAPK14
SCHEMBL1518968 0.81 MAPK10 (1.00) MAPK10KCNH2MAPK14MAPK1MEN1
SCHEMBL30216764 0.81 KCNH2 (0.58) MAPK10KCNH2SCN5ASCN9AMAPK1
SCHEMBL23588551 0.81 KCNH2 (0.58) MAPK10KCNH2SCN5ASCN9AMAPK1
SCHEMBL24010544 0.81 KCNH2 (0.58) MAPK10KCNH2SCN5ASCN9AMAPK14
SCHEMBL6829712 0.81 MAPK10 (0.84) MAPK10KCNH2SCN5ASCN9AMAPK14
SCHEMBL1136895 0.78 MET (0.55) MAPK10KCNH2SCN5ASCN9AMAPK14
SCHEMBL24173476 0.77 MAPK10 (0.67) MAPK10MAPK14MAPK1MEN1KMT2A
SCHEMBL374096 0.76 CDK5 (0.61) MAPK10KCNH2SCN5ASCN9AMAPK14

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4171744-A1 USE OF N-PHENYLACETAMIDES HAVING P2X4 RECEPTOR ANTAGONISTIC ACTIVITY FOR TREATING CERTAIN OCULAR DISORDERS Bayer Aktiengesellschaft (DE) 2023-05-03 EP disclosed
EP-4172146-A1 SUBSTITUTED N-PHENYLACETAMIDES HAVING P2X4 RECEPTOR ANTAGONISTIC ACTIVITY Bayer Aktiengesellschaft (DE) 2023-05-03 EP disclosed