SCHEMBL17709604

SCHEMBL17709604

N#CCc1nc(NCCc2cccnc2)ncc1-c1nc2ccccc2s1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.56
MAPK8 P45983 1/20 0.56
MAPK9 P45984 1/20 0.56
MKNK1 Q9BUB5 2/20 0.44
MKNK2 Q9HBH9 2/20 0.44
ILK Q13418 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 1/20 0.41
CDK1 P06493 1/20 0.41
KDR P35968 1/20 0.41
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
CYP3A4 P08684 4/20 0.40
IRAK4 Q9NWZ3 2/20 0.39
GBA1 P04062 1/20 0.38

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
SCHEMBL5103181 0.86 ALDH1A1 (0.43) MAPK10MAPK8MAPK9ILKKDM4E
SCHEMBL5096401 0.86 ILK (0.48) MAPK10MAPK8MAPK9ILKKDM4E
SCHEMBL5596244 0.86 CDK1 (0.43) MAPK10MAPK8MAPK9ILKKDM4E
SCHEMBL5100115 0.85 PTGS1 (0.41) MAPK10MAPK8MAPK9ILKNPC1
SCHEMBL5138885 0.85 CSNK1D (0.41) MAPK10MAPK8MAPK9ILKKDM4E
SCHEMBL5103578 0.84 SMN1; SMN2 (0.46) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL5110395 0.84 ALDH1A1 (0.46) MAPK10MAPK8MAPK9MKNK1MKNK2
SCHEMBL5596497 0.83 KDM4E (0.42) MAPK10MAPK9ILKKDM4EALDH1A1
SCHEMBL4949154 0.82 MKNK1 (0.47) MAPK10MAPK8MAPK9MKNK1MKNK2
SCHEMBL5596747 0.79 CDK1 (0.35) MAPK10MAPK8MAPK9ILKALDH1A1

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-20160122825-A1 EFFICIENT FUNCTIONAL GENOMICS PLATFORM BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-05-05 US disclosed