SCHEMBL5731616

SCHEMBL5731616

CCOc1nc(N2CCCNCC2)c2sc3nc(-c4ccccc4)cc(C)c3c2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 11/20 0.54
▸ CHRM4 P08173 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CACNA2D1 P54289 1/20 0.39
▸ CACNA2D2 Q9NY47 1/20 0.39
▸ PRKCZ Q05513 1/20 0.38
▸ KHK P50053 1/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PRKCB P05771 1/20 0.37
▸ PRKCA P17252 1/20 0.37
▸ PRKCH P24723 1/20 0.37
▸ PRKCE Q02156 1/20 0.37
▸ PRKCQ Q04759 1/20 0.37
▸ PRKCD Q05655 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37

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
SCHEMBL2614863 0.97 PRKCI (0.52) PRKCICHRM4KDM4EMAPTPRKCZ
Hydrochloric Acid SCHEMBL5729967 0.96 PRKCI (0.51) PRKCICHRM4KDM4EMAPTPRKCZ
SCHEMBL1322016 0.90 PRKCI (0.50) PRKCICHRM4KDM4EMAPTPRKCZ
SCHEMBL1321699 0.90 PRKCI (0.52) PRKCICHRM4KDM4EMAPTCACNA2D1
SCHEMBL5732255 0.89 PRKCI (0.44) PRKCIKDM4EPRKCZKHKNPSR1
SCHEMBL1322263 0.88 PRKCI (0.50) PRKCICHRM4KDM4EMAPTPRKCZ
SCHEMBL1320517 0.87 PRKCI (0.49) PRKCICHRM4KDM4EMAPTCACNA2D1
SCHEMBL2614862 0.87 PRKCI (0.54) PRKCICHRM4KDM4EMAPTPRKCZ
SCHEMBL5731432 0.86 PRKCI (0.49) PRKCICHRM4KDM4EMAPTPRKCZ
SCHEMBL1321209 0.86 PRKCI (0.49) PRKCICHRM4KDM4EMAPTPRKCZ

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-1619196-A1 Substituted Pyrido[3',2':4,5]thieno[3,2-d]pyrimidines and Pyrido[3',2':4,5]furo[3,2-d]-pyrimidines for use as inhibitors of PDA-4 and/or TNF-alpha release Curacyte Discovery GmbH (DE) 2006-01-25 — — EP disclosed
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