SCHEMBL2728969

SCHEMBL2728969

CN(c1ccc2c(c1)OCO2)c1ncccc1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.47
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
KDR P35968 1/20 0.47
MAPK9 P45984 1/20 0.45
MAPK10 P53779 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
AURKA O14965 2/20 0.43
RPS6KB1 P23443 2/20 0.43
MAP4K2 Q12851 1/20 0.43
PARP1 P09874 1/20 0.43
POLB P06746 1/20 0.42
CTNNB1 P35222 1/20 0.41
WNT3A P56704 1/20 0.41
AURKB Q96GD4 1/20 0.41
GPR52 Q9Y2T5 1/20 0.40

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
SCHEMBL3795991 0.75 CHEK2 (0.46) EGFRPDGFRBPDGFRAKDRSMN1; SMN2
SCHEMBL3714860 0.74 KCNA5 (0.49) SMN1; SMN2NPC1RAB9APARP1HSD17B10
SCHEMBL7448803 0.72 ALDH1A1 (0.55) SMN1; SMN2TSHRNPC1RAB9AAURKA
SCHEMBL2770958 0.72 PARP1 (0.51) SMN1; SMN2LMNATSHRNPC1RAB9A
SCHEMBL3523972 0.71 NPC1 (0.47) SMN1; SMN2NPC1RAB9APOLBKMT2A
SCHEMBL6796063 0.70 PARP1 (0.49) SMN1; SMN2LMNATSHRNPC1RAB9A
SCHEMBL2728976 0.69 AURKA (0.67) KDRTSHRAURKARPS6KB1MAP4K2
SCHEMBL3716902 0.68 PARP1 (0.44) SMN1; SMN2LMNANPC1RAB9APARP1
SCHEMBL16340275 0.68 HPGD (0.54) EGFRPDGFRBPDGFRAKDRSMN1; SMN2
SCHEMBL4894330 0.68 EGFR (0.59) EGFRPDGFRBPDGFRAKDRSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635556-A2 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS Portola Pharmaceuticals, Inc. (US) 2013-09-11 EP claimed
WO-2012061418-A2 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 WO claimed