SCHEMBL21961392

SCHEMBL21961392

CONc1cn[nH]c1C1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.38
CDK2 P24941 4/20 0.34
GSK3B P49841 3/20 0.34
CCNA2 P20248 3/20 0.34
GSK3A P49840 2/20 0.34
MAPK8 P45983 4/20 0.33
MAPK9 P45984 4/20 0.33
MAPK10 P53779 4/20 0.33
MAP2K7 O14733 1/20 0.33
IKBKB O14920 1/20 0.33
MAPK13 O15264 1/20 0.33
MAP2K4 P45985 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
MAP2K6 P52564 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK14 Q16539 1/20 0.33
CCR5 P51681 1/20 0.32
LATS1 O95835 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
PRMT1 Q99873 3/20 0.31

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
SCHEMBL21961391 0.77 HPGDS (0.44) HPGDSCDK2GSK3BCCNA2GSK3A
SCHEMBL14387558 0.66
SCHEMBL21849265 0.65 HPGDS (0.40) HPGDSCDK2CCNA2MAPK8MAPK9
SCHEMBL21964551 0.65 CDK1 (0.33) CDK2CCNA2
SCHEMBL27919806 0.64 KDM4E (0.40)
SCHEMBL27674559 0.63 CCNA2 (0.52) CDK2CCNA2
SCHEMBL23344298 0.62 GAA (0.41) HPGDSACVR1
SCHEMBL27799858 0.61 OPRL1 (0.42)
SCHEMBL21816205 0.60 HCAR2 (0.43) HPGDSMAPK8MAPK9MAPK10CCR5
SCHEMBL27849851 0.59 MKNK1 (0.46) HPGDSCDK2GSK3BCCNA2ACVR1

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-3478675-B1 HETEROAROMATIC DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-22 EP disclosed