SCHEMBL16101600

SCHEMBL16101600

NC(=O)/C(=C\c1ccccc1)c1cnc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.59
RAB9A P51151 1/20 0.49
CFTR P13569 1/20 0.48
PDGFRB P09619 1/20 0.48
PDGFRA P16234 1/20 0.48
TOP2A P11388 2/20 0.45
TOP2B Q02880 2/20 0.45
BCAT1 P54687 1/20 0.45
KDR P35968 1/20 0.45
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
PPARA Q07869 1/20 0.42
PDE10A Q9Y233 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL16101602 0.86 RAB9A (0.56) MGAMRAB9ACFTRPDGFRBPDGFRA
SCHEMBL28280890 0.84 MGAM (0.59) MGAMRAB9ACFTRTOP2ATOP2B
SCHEMBL8830542 0.80 NQO2 (0.56) MGAMRAB9ACFTRPDGFRBPDGFRA
SCHEMBL8830540 0.80 NQO2 (0.56) MGAMRAB9ACFTRPDGFRBPDGFRA
SCHEMBL16180625 0.79 CDK8 (0.49) PDGFRBPDGFRAKDRPDE10AAKR1C1
SCHEMBL28290522 0.78 AKR1C3 (0.56) KMT2AKDM4EMEN1MAPTALDH1A1
Urea SCHEMBL27348385 0.77 MGAM (0.90) MGAMRAB9ACFTRPDGFRBPDGFRA
SCHEMBL29362497 0.77 MGAM (0.71) MGAMRAB9ACFTRTOP2ATOP2B
SCHEMBL23372 0.77 MGAM (0.71) MGAMRAB9ACFTRTOP2ATOP2B
SCHEMBL16102102 0.76 KMT2A (0.48) MGAMRAB9APDGFRBPDGFRAKMT2A

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-2968339-A1 MK2 INHIBITORS AND USES THEREOF Celgene Avilomics Research, Inc. (US) 2016-01-20 EP disclosed
WO-2014149164-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-09-25 WO disclosed