SCHEMBL18197870

SCHEMBL18197870

COc1ccc(C(F)(F)c2nnc3cccnn23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
AHR P35869 1/20 0.37
MET P08581 3/20 0.37
NQO2 P16083 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
PIP4K2C Q8TBX8 1/20 0.37
EGLN2 Q96KS0 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
CYP1A2 P05177 2/20 0.34
HPGD P15428 2/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 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
SCHEMBL749848 0.75 ALDH1A1 (0.51) SCN5AL3MBTL1KDM4EALDH1A1MAPT
SCHEMBL18197877 0.72 MET (0.67) METNQO2PDE3BPDE3APIP4K2C
SCHEMBL2499862 0.72 FYN (0.46) SCN5AL3MBTL1METKDM4ECYP1A2
SCHEMBL14030430 0.72 MEN1 (0.47) SCN5AKDM4EALDH1A1MEN1LMNA
SCHEMBL29726347 0.69 KDM4E (0.36) EGLN2KDM4EHPGDDYRK1APDE4A
SCHEMBL2324555 0.66 CA4 (0.54) AHRLMNAHTT
SCHEMBL11950451 0.63 L3MBTL1 (0.48) SCN5AL3MBTL1KDM4EALDH1A1MAPT
SCHEMBL19338489 0.63 MKNK1 (0.38) EGLN2KDM4EDYRK1APDE4APDE4B
SCHEMBL25415730 0.62 JAK1 (0.50) L3MBTL1EGLN2KDM4EALDH1A1MAPT
SCHEMBL2390836 0.62 KCNN4 (0.46) AHRKDM4EALDH1A1MAPTHPGD

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