SCHEMBL6090998

SCHEMBL6090998

[c]1ccnc(Nc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
RAB9A P51151 3/20 0.46
MAPK1 P28482 2/20 0.46
CDK2 P24941 2/20 0.46
NPC1 O15118 2/20 0.46
AURKA O14965 2/20 0.46
CHEK1 O14757 1/20 0.46
IKBKB O14920 1/20 0.46
PDPK1 O15530 1/20 0.46
CHEK2 O96017 1/20 0.46
PRKCG P05129 1/20 0.46
CDK1 P06493 1/20 0.46
LYN P07948 1/20 0.46
KIT P10721 1/20 0.46
PIM1 P11309 1/20 0.46
FGFR1 P11362 1/20 0.46
FGFR3 P22607 1/20 0.46
RPS6KB1 P23443 1/20 0.46
MARK3 P27448 1/20 0.46
EPHA2 P29317 1/20 0.46

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
SCHEMBL8651322 0.81 KMT2A (0.53) RAB9ANPC1MEN1KMT2ATDP1
SCHEMBL28254520 0.75 CA1 (0.55) MAPTCDK2CDK1ROCK1
SCHEMBL2530028 0.74 MEN1 (0.50) MAPTRAB9ANPC1PIM1MEN1
SCHEMBL2648161 0.73 FABP1 (0.61) MAPTRAB9AMAPK1NPC1MEN1
SCHEMBL29582475 0.73 MEN1 (0.64) MAPTRAB9AMAPK1CDK2NPC1
SCHEMBL626575 0.73 MEN1 (0.64) MAPTRAB9AMAPK1CDK2NPC1
SCHEMBL31138002 0.71 MEN1 (0.61) MAPTRAB9AMAPK1CDK2NPC1
SCHEMBL71629 0.71 MAPT (0.47) MAPTRAB9AMAPK1CDK2NPC1
SCHEMBL149380 0.71 MEN1 (0.55) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL1901811 0.70 KDM4E (0.49) MEN1KMT2AKDM4EHSD17B10ALDH1A1

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
US-7138395-B2 Interleukin-1β converting enzyme inhibitors THE PROCTER & GAMBLE COMPANY (US) 2006-11-21 US disclosed