SCHEMBL20921663

SCHEMBL20921663

CCC(F)(F)c1ccc(-c2cc(C(=O)NC(C)(C)C)cc(-n3ccnc3C(C)(C)O)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 10/20 0.43
RIPK1 Q13546 1/20 0.35
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34
MCHR1 Q99705 2/20 0.34
JAK2 O60674 1/20 0.33
CSF1R P07333 1/20 0.31
LYN P07948 1/20 0.31
KIT P10721 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
OPRD1 P41143 1/20 0.31
KCNH2 Q12809 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31

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
SCHEMBL18285335 0.90 P2RY14 (0.52) P2RY14RIPK1RAF1BRAFMCHR1
SCHEMBL20921564 0.86 P2RY14 (0.37) P2RY14RIPK1JAK2
SCHEMBL18285343 0.86 P2RY14 (0.40) P2RY14RIPK1RAF1BRAFJAK2
SCHEMBL18285370 0.84 CNR1 (0.42) P2RY14RIPK1JAK2
SCHEMBL18285291 0.83 P2RY14 (0.52) P2RY14RIPK1RAF1BRAFMCHR1
SCHEMBL18285309 0.79 P2RY14 (0.41) P2RY14RIPK1JAK2MAPTALOX5AP
SCHEMBL18285304 0.77 CNR1 (0.42) P2RY14RIPK1JAK2KCNH2
SCHEMBL21841655 0.77 P2RY14 (0.44) P2RY14MCHR1JAK2POLBMAPT
SCHEMBL18285306 0.76 P2RY14 (0.51) P2RY14RIPK1RAF1BRAFMCHR1
SCHEMBL18285293 0.75 P2RY14 (0.40) P2RY14RIPK1MAPT

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-3303299-B1 IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-04-24 EP disclosed