SCHEMBL18197866

SCHEMBL18197866

c1ccncccc(Cc2nnc3cccnn23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
HPGD P15428 5/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.46
MET P08581 8/20 0.44
MAPT P10636 1/20 0.42
KDM5A P29375 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CDK1 P06493 2/20 0.40
CCNB1 P14635 2/20 0.40
CDK2 P24941 2/20 0.40
GAA P10253 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL18197871 0.94 MET (0.47) ALDH1A1HPGDHTTSMN1; SMN2TSHR
SCHEMBL18197862 0.80 MET (0.60) MET
SCHEMBL18197858 0.77 MET (0.44) ALDH1A1HPGDHTTMETMAPT
SCHEMBL1659800 0.73 MET (0.43) MET
SCHEMBL9934742 0.72 PDE4A (0.38) ALDH1A1SMN1; SMN2METKDM4E
SCHEMBL14048229 0.72 POLB (0.47) ALDH1A1METGABRA1GABRG2GABRB3
Diphenylmethane SCHEMBL27810624 0.70 CALM1 (0.67) TSHR
SCHEMBL10535202 0.70 MET (0.46) ALDH1A1HPGDHTTSMN1; SMN2TSHR
SCHEMBL18197888 0.70 MET (0.41) MET
SCHEMBL19338425 0.69 MET (0.49) MET

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