SCHEMBL17119866

SCHEMBL17119866

C=Cc1nc(SC)nc(C(F)(F)F)c1I

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL17119856 0.75 LMNA (0.33)
SCHEMBL6244063 0.74 CYP1A2 (0.39) CYP1A2CYP2C19
SCHEMBL17119867 0.71 SMN1; SMN2 (0.43)
SCHEMBL6239456 0.70 CYP1A2 (0.36) CYP1A2CYP2C19
SCHEMBL6242887 0.64 HCAR2 (0.35) CYP1A2CYP2C19
SCHEMBL15256028 0.63 MEN1 (0.34)
SCHEMBL6239676 0.63 CYP1A2 (0.32) CYP1A2CYP2C19
SCHEMBL16123629 0.62 CYP1A2 (0.41) CYP1A2CYP2C19
SCHEMBL21020610 0.62 CYP1A2 (0.41) CYP1A2CYP2C19
SCHEMBL29905989 0.62 CYP1A2 (0.41) CYP1A2CYP2C19

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-2536410-B1 SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS MERCK SHARP & DOHME (US) 2015-09-23 EP disclosed