SCHEMBL20895844

SCHEMBL20895844

CCCCn1c(N(C)CCN)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 10/20 0.49
▸ FAP Q12884 6/20 0.49
▸ POU2F2 P09086 1/20 0.48
▸ ADORA3 P0DMS8 1/20 0.48
▸ CHRM1 P11229 1/20 0.48
▸ POU2F1 P14859 1/20 0.48
▸ CHRM3 P20309 1/20 0.48
▸ HRH2 P25021 1/20 0.48
▸ MC4R P32245 1/20 0.48
▸ DPP8 Q6V1X1 1/20 0.48
▸ DPP9 Q86TI2 1/20 0.48
▸ GHSR Q92847 1/20 0.48
▸ TSHR P16473 5/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ BRAF P15056 1/20 0.41

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
SCHEMBL12650019 0.92 DPP4 (0.51) DPP4FAPPOU2F2ADORA3CHRM1
SCHEMBL20895837 0.89 DPP4 (0.48) DPP4FAPPOU2F2ADORA3CHRM1
SCHEMBL20895836 0.89 DPP4 (0.48) DPP4FAPPOU2F2ADORA3CHRM1
SCHEMBL19154499 0.89 DPP4 (0.48) DPP4FAPPOU2F2ADORA3CHRM1
SCHEMBL1772436 0.88 DPP4 (0.63) DPP4FAPPOU2F2ADORA3CHRM1
SCHEMBL13955147 0.81 DPP4 (0.42) DPP4FAPPOU2F2ADORA3CHRM1
SCHEMBL10030473 0.81 DPP4 (0.50) DPP4FAPPOU2F2ADORA3CHRM1
SCHEMBL13954913 0.81 DPP4 (0.50) DPP4FAPPOU2F2ADORA3CHRM1
SCHEMBL2976376 0.81 DPP4 (0.50) DPP4FAPPOU2F2ADORA3CHRM1
SCHEMBL8273215 0.80 DPP4 (0.61) DPP4FAPPOU2F2ADORA3CHRM1

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
EP-2190434-B1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAP-RELATED DISEASES BOEHRINGER INGELHEIM INT (DE) 2019-04-17 — — EP claimed
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