SCHEMBL4098341

SCHEMBL4098341

CN(C)C(=O)c1cccc2ccncc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 1/20 0.50
PKN2 Q16513 1/20 0.50
TNF P01375 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.41
CNR2 P34972 2/20 0.40
GSK3B P49841 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP1B1 Q16678 1/20 0.40
KDM5A P29375 1/20 0.40

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
SCHEMBL14893851 0.85 TNF (0.42) PKN1PKN2TNFKDM4EHTT
SCHEMBL14893839 0.81 HASPIN (0.47) TNFKMT2AKDM4EHTTMAPT
SCHEMBL30937994 0.81 HASPIN (0.47) TNFKMT2AKDM4EHTTMAPT
SCHEMBL2223329 0.80 NR4A1 (0.60) TNFMEN1KMT2AKDM4EHTT
SCHEMBL31522172 0.80 NR4A1 (0.60) TNFMEN1KMT2AKDM4EHTT
SCHEMBL10407111 0.79 NR4A1 (0.59) MEN1KMT2ASMN1; SMN2POLBKDM4E
SCHEMBL29715203 0.78 KDM4E (0.59) PKN1PKN2TNFKMT2ASMN1; SMN2
SCHEMBL28892310 0.78 TNF (0.46) TNFKMT2ASMN1; SMN2KDM4EHTT
Hydrochloric Acid SCHEMBL29816682 0.78 NR4A1 (0.58) TNFMEN1KMT2AKDM4EHTT
SCHEMBL30771576 0.78 NR4A1 (0.58) TNFMEN1KMT2AKDM4EHTT

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-2024342-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS Pfizer Products Incorporated (US) 2009-02-18 EP disclosed
WO-2007125405-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-08 WO disclosed