SCHEMBL31385201

SCHEMBL31385201

Cc1nc(C(=O)NCc2cccc(C(F)(F)F)c2)c2ccccc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.59
MAPK14 Q16539 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
PLA2G1B P04054 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
GAA P10253 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
ATG4B Q9Y4P1 1/20 0.55
PTGER4 P35408 2/20 0.54
TACR1 P25103 1/20 0.53
CCR1 P32246 3/20 0.52
APP P05067 2/20 0.52
LMNA P02545 2/20 0.52
RAB9A P51151 1/20 0.52
CNR2 P34972 1/20 0.51
HPGD P15428 1/20 0.49

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
SCHEMBL31385200 1.00 MLYCD (0.59) MLYCDMAPK14MEN1KMT2APLA2G1B
SCHEMBL31385327 0.87 PTGER4 (0.55) MAPK14PTGER4TACR1APPLMNA
SCHEMBL31385191 0.84 MAPK14 (0.62) MAPK14MEN1KMT2ALMNA
SCHEMBL31347370 0.83 MLYCD (0.57) MLYCDMAPK14MEN1KMT2APLA2G1B
SCHEMBL12629823 0.80 MLYCD (0.58) MLYCDMAPK14MEN1KMT2APLA2G1B
SCHEMBL5261051 0.79 MLYCD (0.80) MLYCDMAPK14MEN1KMT2APLA2G1B
SCHEMBL5113671 0.79 APP (0.74) MEN1KMT2AAPPLMNA
SCHEMBL16628738 0.78 ADORA2A (0.59) MLYCDMAPK14PTGER4APP
SCHEMBL31385207 0.78 PTGER4 (0.57) MAPK14CYP1A2GAACYP2D6CYP2C19
SCHEMBL4925824 0.77 CNR2 (0.63) MAPK14CNR2

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
CN-119119035-A RIPK1 kinase target inhibitor and preparation method and application thereof 中山大学 2024-12-13 CN disclosed