SCHEMBL5201754

SCHEMBL5201754

N=C(N)Nc1ccc(N2CCCC2C(=O)NC2CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PORCN Q9H237 2/20 0.47
SYK P43405 6/20 0.44
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.41
BACE1 P56817 2/20 0.40
PLAU P00749 1/20 0.40
HPN P05981 1/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CNR2 P34972 2/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2C9 P11712 1/20 0.40
CNR1 P21554 1/20 0.40
CYP2C19 P33261 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
SCHEMBL3546921 1.00 PORCN (0.47) PORCNSYKTSHRALDH1A1BACE1
SCHEMBL5241338 0.86 SYK (0.50) PORCNSYKALDH1A1BACE1PLAU
SCHEMBL3554471 0.86 SYK (0.50) PORCNSYKALDH1A1BACE1PLAU
SCHEMBL3557292 0.83 KDM4E (0.44) PORCNSYKALDH1A1BACE1GAA
SCHEMBL5203002 0.80 SYK (0.54) PORCNSYKALDH1A1BACE1PLAU
SCHEMBL3552698 0.80 SYK (0.54) PORCNSYKALDH1A1BACE1PLAU
SCHEMBL5204927 0.76 EPHX2 (0.50) ALDH1A1KDM4E
SCHEMBL3549222 0.76 EPHX2 (0.50) ALDH1A1KDM4E
SCHEMBL9891967 0.72 CNR2 (0.52) BACE1SMN1; SMN2CNR2CYP2C8CYP2C9
SCHEMBL3550081 0.72 NPC1 (0.40) PORCNALDH1A1BACE1CNR2CYP2C8

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-1748999-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2007-02-07 EP disclosed
WO-2005075461-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2005-08-18 WO disclosed