SCHEMBL3821670

SCHEMBL3821670

Cc1nc(CN)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.46
DPP8 Q6V1X1 4/20 0.42
DPP9 Q86TI2 2/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
CYP3A4 P08684 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 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
Hydrochloric Acid SCHEMBL3819328 0.99 DPP4 (0.46) DPP4DPP8DPP9KMT2AATM
SCHEMBL3819682 0.88 KMT2A (0.41) DPP4KMT2AATMCNR1CNR2
SCHEMBL3817571 0.86 KMT2A (0.42) DPP4KMT2AATMCNR1
SCHEMBL3814385 0.80 DPP4 (0.40) DPP4DPP8DPP9CYP3A4
SCHEMBL6024731 0.78 KMT2A (0.47) DPP4KMT2AATMCNR1
SCHEMBL3828619 0.78 DPP4 (0.46) DPP4KMT2ACYP3A4CNR1CNR2
Hydrochloric Acid SCHEMBL3817001 0.77 DPP4 (0.45) DPP4KMT2ACYP3A4CNR1CNR2
SCHEMBL5187409 0.76 DPP4 (0.44) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL4913608 0.75 DPP4 (0.43) DPP4DPP8DPP9
SCHEMBL3822423 0.74 DPP4 (0.40) DPP4CYP3A4CNR1CNR2

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-1937672-B1 N-[(4,5-DIPHENYLPYRIMIDIN-2-YL)METHYL]AMINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR THERAPEUTIC USE SANOFI AVENTIS (FR) 2009-09-02 EP disclosed
EP-1937672-A1 N-[(4,5-DIPHENYLPYRIMIDIN-2-YL)METHYL]AMINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR THERAPEUTIC USE Sanofi-Aventis (FR) 2008-07-02 EP disclosed
WO-2007006928-A1 N-[(4,5-DIPHENYLPYRIMIDIN-2-YL)METHYL]AMINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2007-01-18 WO disclosed