SCHEMBL18266342

SCHEMBL18266342

O=C(NCc1ccc(Cl)c(C(F)(F)I)c1)c1ccnc(NC(=O)C2CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 7/20 0.41
P2RX7 Q99572 4/20 0.40
EPHX2 P34913 1/20 0.40
PTGES O14684 1/20 0.39
BRAF P15056 2/20 0.39
KDR P35968 2/20 0.39
ROCK2 O75116 1/20 0.38
JAK1 P23458 2/20 0.38
JAK2 O60674 1/20 0.38
CDK9 P50750 1/20 0.38
JAK3 P52333 1/20 0.38
MAPK1 P28482 1/20 0.38
RPS6KA1 Q15418 1/20 0.38
TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL2714068 0.93 P2RX7 (0.47) TYK2P2RX7EPHX2BRAFKDR
SCHEMBL18266662 0.90 ERCC1 (0.39) TYK2JAK1JAK2
SCHEMBL18266639 0.86 EPHX2 (0.43) P2RX7EPHX2
SCHEMBL2715917 0.84 NR3C2 (0.48) P2RX7BRAFKDRJAK2
SCHEMBL18266530 0.84 EPHX2 (0.40) TYK2P2RX7EPHX2BRAFKDR
SCHEMBL2716568 0.83 SCN3A (0.51) TYK2P2RX7BRAFKDRROCK2
SCHEMBL2716987 0.81 BRAF (0.44) BRAFKDRROCK2
SCHEMBL2715430 0.80 AURKA (0.45) BRAF
SCHEMBL18266529 0.80 PPARG (0.39) BRAFKDR
SCHEMBL2716082 0.80 EPHX2 (0.47) P2RX7EPHX2BRAFKDRJAK2

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-2630122-B1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2016-11-30 EP disclosed