SCHEMBL3606001

SCHEMBL3606001

NCc1c(-c2ccc(Cl)cc2Cl)ncn1Cc1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.44
DPP8 Q6V1X1 4/20 0.43
MARS1 P56192 2/20 0.40
CDC7 O00311 2/20 0.40
DBF4 Q9UBU7 2/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
YTHDC1 Q96MU7 1/20 0.37
CYP3A4 P08684 1/20 0.36
DPP9 Q86TI2 1/20 0.36
HRH1 P35367 1/20 0.36
CRHR1 P34998 1/20 0.36

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
SCHEMBL3091375 0.91 DPP4 (0.47) DPP4DPP8CYP3A4
SCHEMBL3079559 0.89 DPP4 (0.51) DPP4DPP8CYP3A4DPP9
SCHEMBL3084749 0.87 P2RX7 (0.46) DPP4DPP8MARS1CYP3A4DPP9
SCHEMBL3091436 0.86 DPP4 (0.46) DPP4DPP8CYP3A4DPP9
SCHEMBL3096840 0.86 DPP4 (0.46) DPP4DPP8CYP3A4DPP9
SCHEMBL3595741 0.86 DPP4 (0.44) DPP4DPP8CYP3A4DPP9
SCHEMBL3102277 0.86 DPP4 (0.44) DPP4DPP8
SCHEMBL3600164 0.86 DPP4 (0.49) DPP4DPP8
SCHEMBL3088192 0.85 DPP4 (0.46) DPP4DPP8CYP3A4
SCHEMBL3089796 0.84 DPP4 (0.44) DPP4DPP8

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-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US claimed