SCHEMBL20041817

SCHEMBL20041817

COc1cc(F)c(C2CN=C(Nc3ccn(C)n3)C2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 6/20 0.35
IGF1R P08069 3/20 0.35
TYK2 P29597 1/20 0.34
CSNK2A1 P68400 1/20 0.33
HPGDS O60760 1/20 0.33
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
LRRK2 Q5S007 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
FPR1 P21462 2/20 0.30
FPR2 P25090 2/20 0.30
RXRA P19793 1/20 0.30
GRIN1 Q05586 1/20 0.30

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
SCHEMBL18117745 1.00 GCK (0.35) GCKIGF1RTYK2CSNK2A1HPGDS
SCHEMBL19559570 0.93 GCK (0.34) GCKIGF1RTYK2CSNK2A1HPGDS
SCHEMBL19559483 0.79 FPR1 (0.40) MEN1NPC1TP53RAB9AKMT2A
SCHEMBL19559545 0.78 FPR2 (0.33) FPR1FPR2
SCHEMBL20177609 0.71 FPR2 (0.31) FPR2
SCHEMBL20177582 0.70 TAAR1 (0.39) FPR1FPR2
SCHEMBL18106702 0.67 FPR2 (0.60) FPR1FPR2
SCHEMBL19547807 0.67 FPR2 (0.60) FPR1FPR2
SCHEMBL29434436 0.67 FPR2 (0.60) FPR1FPR2
SCHEMBL9820163 0.64 ABCB11 (0.61) IGF1RCSNK2A1MEN1NPC1RAB9A

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-3305763-A1 DEUTERATED OR ISOTOPICALLY LABELED UREA DERIVATIVES OR PHARMACOLOGICALLY ACCEPTABLE SALTS THEREOF USEFUL AS FPRL-1 AGONISTS Kyorin Pharmaceutical Co., Ltd. (JP) 2018-04-11 EP disclosed