SCHEMBL13929037

SCHEMBL13929037

N#Cc1cc(/N=N/c2ncn(-c3nc4ccccc4s3)n2)c(NCCO)nc1NCCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ILK Q13418 3/20 0.39
▸ MAPK9 P45984 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CCNA2 P20248 2/20 0.35
▸ CDK2 P24941 2/20 0.35
▸ CCNA1 P78396 2/20 0.35
▸ EGFR P00533 1/20 0.35
▸ CDK1 P06493 2/20 0.33
▸ KDR P35968 1/20 0.33
▸ KDM4E B2RXH2 4/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ CFTR P13569 3/20 0.33
▸ HTT P42858 1/20 0.33
▸ MAPT P10636 3/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32

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
SCHEMBL13929081 0.81 ALDH1A1 (0.38) ILKMAPK9MAPK10RAB9ACCNA2
SCHEMBL13929503 0.71 MAPT (0.38) ILKRAB9AKDM4EMAPK1ALDH1A1
SCHEMBL13929377 0.70 CCNA2 (0.39) CCNA2CDK2CCNA1EGFRKDM4E
SCHEMBL13814019 0.62 CCNA2 (0.40) MAPK9CCNA2CDK2CCNA1EGFR
SCHEMBL13929502 0.62 CCNA2 (0.41) CCNA2CDK2CCNA1EGFRKDM4E
SCHEMBL13929477 0.61 MAPK1 (0.33) NPC1RAB9AMAPK1ALDH1A1MAPT
SCHEMBL14401871 0.60 CA12 (0.45) NPC1RAB9AKDM4EMAPK1ALDH1A1
SCHEMBL13802992 0.60 ALDH1A1 (0.40) CCNA2CDK2CCNA1EGFRKDM4E
SCHEMBL13803000 0.60 CCNA2 (0.38) CCNA2CDK2CCNA1EGFRKDM4E
SCHEMBL11207220 0.58 NPC1 (0.67) ILKNPC1RAB9AKDM4EMAPK1

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-2039726-A2 Azo pigment and pigment dispersion FUJIFILM Corporation (JP) 2009-03-25 — — EP disclosed
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