SCHEMBL3714860

SCHEMBL3714860

CN(c1cccnc1)c1ncccc1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.49
MKNK1 Q9BUB5 7/20 0.45
MKNK2 Q9HBH9 6/20 0.45
SIRT3 Q9NTG7 2/20 0.42
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
SARM1 Q6SZW1 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
SIRT6 Q8N6T7 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
SIRT5 Q9NXA8 1/20 0.42
SIRT4 Q9Y6E7 1/20 0.42
PARP1 P09874 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
SYK P43405 1/20 0.40
NOTUM Q6P988 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL7448803 0.78 ALDH1A1 (0.55) KDM4EALDH1A1HPGDNPC1MAPT
SCHEMBL2770958 0.78 PARP1 (0.51) PARP1TDP1KDM4EALDH1A1HPGD
SCHEMBL10094607 0.77 KCNA5 (0.57) KCNA5NOTUMGRM5
SCHEMBL913751 0.76 MKNK1 (0.44) MKNK1MKNK2SIRT3F7F3
SCHEMBL2062944 0.75 KCNA5 (0.67) KCNA5MKNK1MKNK2NOTUMGRM5
SCHEMBL10427732 0.74 NAPRT (0.51) TDP1KDM4EALDH1A1NPC1MAPT
SCHEMBL2728969 0.74 EGFR (0.47) PARP1ALDH1A1HSD17B10NPC1RAB9A
SCHEMBL2062668 0.74 KCNA5 (0.51) KCNA5NOTUMGRM5MAPT
SCHEMBL27549059 0.72 KCNA5 (0.51) KCNA5NOTUMALDH1A1GRM5
SCHEMBL6796063 0.72 PARP1 (0.49) MKNK1MKNK2PARP1TDP1KDM4E

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
WO-2010129802-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-11 WO claimed