SCHEMBL18197861

SCHEMBL18197861

C1=C(Cc2nnc3ccc(-c4ccc(N5CCOCC5)nc4)nn23)\C=C\CCO/C=C/1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.39
KMT2A Q03164 1/20 0.37
PIM1 P11309 1/20 0.37
ALOX15 P16050 1/20 0.36
CNR2 P34972 3/20 0.35
ADK P55263 1/20 0.34
MAPT P10636 1/20 0.34
RXFP1 Q9HBX9 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL19338387 0.81 MET (0.40) METKMT2AMAPT
SCHEMBL2497294 0.73 MET (0.55) MET
SCHEMBL939285 0.64 PIM1 (0.48) METPIM1CNR2
SCHEMBL21644119 0.62 FYN (0.56)
SCHEMBL13815508 0.61 CNR2 (0.53) KMT2AALOX15CNR2ADKMAPT
SCHEMBL18816460 0.60 TNF (0.42) MET
SCHEMBL19338452 0.60 MET (0.47) MET
SCHEMBL21643976 0.59 DYRK1A (0.50) CNR2
SCHEMBL13815737 0.59 CNR2 (0.53) KMT2AALOX15CNR2ADKMAPT
SCHEMBL3513076 0.58 NOS1 (0.44) KMT2APIM1CNR2ALDH1A1HPGD

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