SCHEMBL18197871

SCHEMBL18197871

c1ccc(Cc2nnc3cccnn23)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MET P08581 8/20 0.47
ALDH1A1 P00352 7/20 0.44
HPGD P15428 5/20 0.44
HTT P42858 1/20 0.44
CDK1 P06493 2/20 0.44
CCNB1 P14635 2/20 0.44
CDK2 P24941 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 2/20 0.43
MAPT P10636 1/20 0.43
KDM5A P29375 1/20 0.43
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.39
RECQL P46063 1/20 0.39
ESR2 Q92731 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL18197866 0.94 ALDH1A1 (0.47) METALDH1A1HPGDHTTCDK1
SCHEMBL18197862 0.85 MET (0.60) MET
SCHEMBL18197858 0.79 MET (0.44) METALDH1A1HPGDHTTHSD17B10
SCHEMBL1659800 0.78 MET (0.43) MET
SCHEMBL14048229 0.77 POLB (0.47) METALDH1A1KDM4EPOLB
SCHEMBL10535202 0.74 MET (0.46) METALDH1A1HPGDHTTCDK1
SCHEMBL18197888 0.74 MET (0.41) MET
SCHEMBL18197881 0.74 MET (0.55) METALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL18197876 0.73 MET (0.44) MET
SCHEMBL9924382 0.73 MET (0.59) METALDH1A1HPGDHTTCDK1

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-1966214-B9 TRIAZOLOPYRIDAZINES AS TYROSINE KINASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-09-13 EP disclosed
EP-1966214-B1 TRIAZOLOPYRIDAZINES AS TYROSINE KINASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-11-02 EP disclosed