SCHEMBL30281161

SCHEMBL30281161

NC(=O)c1cnn(CC(F)(F)F)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
SRC P12931 1/20 0.36
CCNA2 P20248 2/20 0.35
CDK2 P24941 2/20 0.35
CCNA1 P78396 2/20 0.35
METAP2 P50579 2/20 0.34
GRM2 Q14416 2/20 0.34
NR1I2 O75469 1/20 0.34
KCNH2 Q12809 1/20 0.34
CDC7 O00311 1/20 0.33
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
HASPIN Q8TF76 1/20 0.32
CDK19 Q9BWU1 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
TSHR P16473 1/20 0.32
MC4R P32245 1/20 0.32
ADRA1A P35348 1/20 0.32
MC3R P41968 1/20 0.32
SCN9A Q15858 4/20 0.32

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
SCHEMBL23990231 0.84 ASPH (0.34)
SCHEMBL30209668 0.83 KMT2A (0.36) KMT2AGRM2NR1I2KCNH2ADORA3
SCHEMBL2644219 0.77 ADORA3 (0.34) KMT2AGRM2CCNCCDK8ADORA3
SCHEMBL23989562 0.76 CYP1A2 (0.41) KMT2ATSHR
SCHEMBL30281078 0.75 TGFBR1 (0.33) KMT2AGRM2ADORA3TSHRMC4R
SCHEMBL2331495 0.74 KMT2A (0.32) KMT2A
SCHEMBL30209667 0.71 OPRM1 (0.37) SRCKCNH2
SCHEMBL29096880 0.70 GLA (0.42) GRM2ADORA3TSHRMC4RADRA1A
SCHEMBL3721159 0.70 KLKB1 (0.34) KMT2AGRM2KCNH2
SCHEMBL30281038 0.69 GRM2 (0.39) GRM2KCNH2

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-4143195-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 Janssen Pharmaceutica NV (BE) 2023-03-08 EP disclosed