SCHEMBL11649656

SCHEMBL11649656

Nc1ncc(N=Nc2ccccc2)c(N)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
TDP1 Q9NUW8 5/20 0.59
MAPK1 P28482 4/20 0.59
CYP3A4 P08684 3/20 0.59
HBB P68871 2/20 0.59
USP2 O75604 1/20 0.59
LMNA P02545 1/20 0.59
CYP1A2 P05177 1/20 0.59
CHRM1 P11229 1/20 0.59
CYP2C9 P11712 1/20 0.59
DRD2 P14416 1/20 0.59
ADRA2B P18089 1/20 0.59
ADRA2C P18825 1/20 0.59
CHRM3 P20309 1/20 0.59
DRD1 P21728 1/20 0.59
TBXA2R P21731 1/20 0.59
PTGS1 P23219 1/20 0.59
SLC6A2 P23975 1/20 0.59
PDE4A P27815 1/20 0.59

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
SCHEMBL27305127 0.83 HSP90AB1 (0.52) MEN1KMT2ATDP1MAPK1CYP3A4
SCHEMBL9846966 0.77 ALDH1A1 (0.55) MEN1KMT2ATDP1MAPK1CYP3A4
SCHEMBL9846962 0.77 ALDH1A1 (0.55) MEN1KMT2ATDP1MAPK1CYP3A4
Phenazopyridine SCHEMBL253232 0.74 MEN1 (1.00) MEN1KMT2ATDP1MAPK1CYP3A4
Phenazopyridine SCHEMBL360809 0.74 MEN1 (1.00) MEN1KMT2ATDP1MAPK1CYP3A4
Phenazopyridine SCHEMBL14340038 0.74 MEN1 (1.00) MEN1KMT2ATDP1MAPK1CYP3A4
SCHEMBL10708407 0.73 MAPT (0.64) MEN1KMT2ATDP1MAPK1CYP3A4
SCHEMBL10708396 0.73 MAPT (0.64) MEN1KMT2ATDP1MAPK1CYP3A4
Phenazopyridine SCHEMBL26499 0.73 MAPT (1.00) MEN1KMT2ATDP1MAPK1CYP3A4
Phenazopyridine SCHEMBL14687482 0.73 MAPT (1.00) MEN1KMT2ATDP1MAPK1CYP3A4

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
US-4083841-A FOLIC ACID ANTAGONISTS SHAW UNIVERSITY (US) 1978-04-11 US disclosed