SCHEMBL44521

SCHEMBL44521

O=c1[nH]c(Cc2ccc(Cl)c(Cl)c2)nc2cc(-c3nnn[nH]3)sc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PDE5A O76074 1/20 0.45
RNASEH1 O60930 1/20 0.44
CDC7 O00311 13/20 0.41
DBF4 Q9UBU7 13/20 0.41
ROCK1 Q13464 12/20 0.41
CCNE1 P24864 8/20 0.41
CDK2 P24941 8/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
TYMP P19971 1/20 0.36

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
SCHEMBL44050 0.87 PDE5A (0.61) RAB9AKDM4ELMNASMN1; SMN2PDE5A
SCHEMBL38977 0.78 RNASEH1 (0.49) RAB9AKDM4ELMNASMN1; SMN2PDE5A
SCHEMBL38381 0.74 PDE5A (0.47) RAB9AKDM4ELMNASMN1; SMN2PDE5A
SCHEMBL37644 0.74 PDE5A (0.53) RAB9AKDM4ELMNASMN1; SMN2PDE5A
SCHEMBL38180 0.74 PDE5A (0.60) RAB9AKDM4ELMNASMN1; SMN2PDE5A
SCHEMBL38484 0.71 PDE5A (0.57) RAB9AKDM4ELMNASMN1; SMN2PDE5A
SCHEMBL46456 0.71 PDE5A (0.57) RAB9AKDM4ELMNASMN1; SMN2PDE5A
SCHEMBL38179 0.71 PDE5A (0.46) RAB9AKDM4ELMNASMN1; SMN2PDE5A
SCHEMBL38035 0.70 PDE5A (0.55) RAB9AKDM4ELMNASMN1; SMN2PDE5A
SCHEMBL46310 0.67 PDE5A (0.74) RAB9AKDM4ELMNASMN1; SMN2PDE5A

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
WO-2012004900-A1 THIENOPYRIMIDINE COMPOUNDS ASKA PHARMACEUTICAL CO., LTD. (JP) 2012-01-12 WO disclosed