SCHEMBL3930764

SCHEMBL3930764

CC#CCn1c(Br)nc2c1c(=O)n(Cc1cc3ccccc3c(C#N)n1)c(=O)n2C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.47
FAP Q12884 4/20 0.47
CHRM1 P11229 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HIF1A Q16665 1/20 0.45
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL6357606 0.85 DPP4 (0.59) DPP4FAPCHRM1
SCHEMBL3915949 0.83 DPP4 (0.70) DPP4FAPCHRM1ALDH1A1
SCHEMBL13936235 0.82 DPP4 (0.42) DPP4FAPCHRM1
SCHEMBL3919282 0.81 DPP4 (0.64) DPP4FAPCHRM1ALDH1A1SMN1; SMN2
SCHEMBL3926824 0.81 DPP4 (0.67) DPP4FAPCHRM1
SCHEMBL4487837 0.80 KMT2A (0.60) DPP4ALDH1A1SMN1; SMN2RAB9ALMNA
SCHEMBL3968398 0.80 DPP4 (0.74) DPP4FAPCHRM1
SCHEMBL3968402 0.80 DPP4 (0.74) DPP4FAPCHRM1
SCHEMBL3918944 0.79 DPP4 (0.54) DPP4FAPCHRM1
SCHEMBL4482398 0.79 DPP4 (0.71) DPP4FAPALDH1A1SMN1; SMN2HIF1A

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-7550455-B2 8-(piperazin-1yl)- and 8-([1,4]diazepan-1yl)-xanthines, the preparation thereof and their use as pharmaceutical composition BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-23 US disclosed