SCHEMBL20344493

SCHEMBL20344493

C=NC(=O)c1cn(Cc2ccccc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.51
KDM4C Q9H3R0 4/20 0.48
KDM5A P29375 2/20 0.48
KDM5B Q9UGL1 2/20 0.48
KLKB1 P03952 1/20 0.45
CYP2E1 P05181 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2A6 P11509 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2B6 P20813 1/20 0.45
CYP2C19 P33261 1/20 0.45
USP30 Q70CQ3 1/20 0.44
HPGDS O60760 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
RIPK1 Q13546 2/20 0.42
CPB2 Q96IY4 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 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
SCHEMBL3688462 0.83 KDM4C (0.57) RBP4KDM4CKDM5AKDM5BKLKB1
SCHEMBL15964744 0.80 RBP4 (0.54) RBP4KDM4CKDM5AKDM5BKLKB1
SCHEMBL16690901 0.80 RBP4 (0.54) RBP4KDM4CKDM5AKDM5BKLKB1
Trifluoroacetic Acid SCHEMBL4737904 0.78 KDM4C (0.50) RBP4KDM4CKDM5AKDM5BKLKB1
SCHEMBL24310642 0.78 KDM4C (0.52) RBP4KDM4CKDM5AKDM5BKLKB1
SCHEMBL18367381 0.77 CDK5 (0.53) RBP4KDM4CKDM5AKDM5BKLKB1
SCHEMBL18377475 0.77 KLKB1 (0.56) RBP4KDM4CKDM5AKDM5BKLKB1
SCHEMBL16689551 0.77 RBP4 (0.51) RBP4KDM4CKDM5AKDM5BKLKB1
SCHEMBL24310337 0.75 KDM4C (0.50) RBP4KDM4CKDM5AKDM5BKLKB1
SCHEMBL21314995 0.74 KDM4C (0.50) RBP4KDM4CKDM5AKDM5BNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3342771-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-11-25 EP disclosed
EP-3508484-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-07-10 EP disclosed
EP-3342771-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Ltd (GB) 2018-07-04 EP disclosed