SCHEMBL29448774

SCHEMBL29448774

CC(C)(C)OC(=O)Nc1ccc(F)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 10/20 0.71
P2RX1 P51575 2/20 0.53
LCK P06239 3/20 0.53
KDR P35968 2/20 0.53
TEK Q02763 1/20 0.53
PTGS1 P23219 1/20 0.52
SLC2A1 P11166 1/20 0.52
P2RX4 Q99571 1/20 0.52
P2RX7 Q99572 1/20 0.52
TMPRSS4 Q9NRS4 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPT P10636 2/20 0.51
BTK Q06187 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL19233279 1.00 RXFP1 (0.71) RXFP1P2RX1LCKKDRTEK
SCHEMBL14410670 0.88 RXFP1 (0.57) RXFP1P2RX1KDRPTGS1P2RX4
SCHEMBL20577951 0.87 RXFP1 (0.54) RXFP1LCKKDRTEK
SCHEMBL30042580 0.87 RXFP1 (0.73) RXFP1SMN1; SMN2MAPTCYP3A4CYP2C19
SCHEMBL1013325 0.87 RXFP1 (0.73) RXFP1SMN1; SMN2MAPTCYP3A4CYP2C19
SCHEMBL29448791 0.84 RXFP1 (0.55) RXFP1P2RX1KDRP2RX4P2RX7
SCHEMBL20578118 0.83 RXFP1 (0.60) RXFP1KDRSMN1; SMN2MAPT
SCHEMBL20577892 0.83 P2RX1 (0.60) RXFP1P2RX1LCKKDRTEK
SCHEMBL15528675 0.83 RXFP1 (1.00) RXFP1
SCHEMBL29716027 0.83 RXFP1 (1.00) RXFP1

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-3412670-B1 PYRIDINE DERIVATIVES INHIBITING RAF KINASE AND VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR, PHARMACEUTICAL COMPOSITION CONTAINING THEM AND USE THEREOF SAMJIN PHARM CO LTD (KR) 2022-03-09 EP disclosed