SCHEMBL13612007

SCHEMBL13612007

CC1=NC2=NC(c3ccccc3Cl)CN2C(c2ccc(Cl)cc2Cl)=C1CN

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.35
CYP3A4 P08684 5/20 0.35
CYP2C19 P33261 3/20 0.35
DPP8 Q6V1X1 5/20 0.34
DPP9 Q86TI2 4/20 0.34
TAAR1 Q96RJ0 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP1A2 P05177 1/20 0.32

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
SCHEMBL13611864 0.90 DPP4 (0.40) DPP4CYP3A4CYP2C19DPP8DPP9
SCHEMBL13612028 0.78 MEN1 (0.36) DPP4DPP8
SCHEMBL13612014 0.76 MAPT (0.40) DPP4DPP8DPP9
SCHEMBL13612016 0.76 DPP4 (0.44) DPP4DPP8DPP9
SCHEMBL13611767 0.75 TDP1 (0.38) DPP4CYP3A4CYP2C19DPP8DPP9
SCHEMBL13612038 0.74 KMT2A (0.41) DPP4CYP3A4CYP2C19
SCHEMBL13612023 0.73 ALDH1A1 (0.38) DPP4CYP3A4DPP8DPP9
SCHEMBL13612035 0.73 MAPT (0.41) DPP4
SCHEMBL13612049 0.72 ANO1 (0.40) DPP4CYP3A4CYP2C19DPP8DPP9
SCHEMBL13611869 0.72 DPP4 (0.36) DPP4DPP8DPP9

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-7635699-B2 Azolopyrimidine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-22 US disclosed