SCHEMBL16095940

SCHEMBL16095940

COc1ccccc1C(C)/N=C\c1ncc2nccnc2n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KRAS P01116 1/20 0.33
SOS1 Q07889 1/20 0.33
ACHE P22303 1/20 0.32
PDGFRB P09619 2/20 0.32
PDGFRA P16234 2/20 0.32
RAB9A P51151 3/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
TRPM8 Q7Z2W7 2/20 0.32
PKM P14618 1/20 0.32
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
PDE5A O76074 2/20 0.31
AURKA O14965 1/20 0.31

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
SCHEMBL16095941 1.00 KRAS (0.33) KRASSOS1ACHEPDGFRBPDGFRA
SCHEMBL16096197 0.90
SCHEMBL16096202 0.90
SCHEMBL17499183 0.89
SCHEMBL16099267 0.79 RAB9A (0.38) ACHERAB9AALDH1A1GAATRPM8
SCHEMBL16099266 0.79 RAB9A (0.38) ACHERAB9AALDH1A1GAATRPM8
SCHEMBL16096595 0.79 ALDH1A1 (0.37) PDGFRBPDGFRARAB9AALDH1A1GAA
SCHEMBL16096594 0.79 ALDH1A1 (0.37) PDGFRBPDGFRARAB9AALDH1A1GAA
SCHEMBL16095802 0.78 KDM4E (0.34) ACHERAB9AALDH1A1GAANPC1
SCHEMBL17499360 0.78 KDM4E (0.34) ACHERAB9AALDH1A1GAANPC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2969593-B1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES BRIDGESTONE CORP (JP) 2020-11-04 EP disclosed
US-9850328-B2 Polymers functionalized with heterocyclic imines BRIDGESTONE CORPORATION (JP) 2017-12-26 US disclosed
US-20160039958-A1 Polymers Functionalized With Heterocyclic Imines BRIDGESTONE CORPORATION (JP) 2016-02-11 US disclosed
EP-2969593-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES Bridgestone Corporation (JP) 2016-01-20 EP disclosed
WO-2014149931-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES BRIDGESTONE CORPORATION (JP) 2014-09-25 WO disclosed