SCHEMBL5732076

SCHEMBL5732076

Cc1cc(-c2ccccc2)nc2sc3c(N4CCCNCC4)nc(Cl)nc3c12

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 11/20 0.58
▸ HTR2C P28335 2/20 0.51
▸ CHRM4 P08173 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PRKCZ Q05513 1/20 0.41
▸ PRKCB P05771 1/20 0.40
▸ PRKCA P17252 1/20 0.40
▸ PRKCH P24723 1/20 0.40
▸ PRKCE Q02156 1/20 0.40
▸ PRKCQ Q04759 1/20 0.40
▸ PRKCD Q05655 1/20 0.40
▸ ABCB1 P08183 1/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.39

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
SCHEMBL5730721 0.96 PRKCI (0.56) PRKCIHTR2CCHRM4KDM4EMAPT
SCHEMBL5731659 0.86 HTR2C (0.62) PRKCIHTR2CMAPTPRKCZ
SCHEMBL5731146 0.85 PRKCI (0.52) PRKCIHTR2CCHRM4KDM4EMAPT
SCHEMBL5731616 0.85 PRKCI (0.54) PRKCICHRM4KDM4EMAPTPRKCZ
SCHEMBL2614868 0.83 PRKCI (0.54) PRKCIHTR2CCHRM4KDM4EMAPT
SCHEMBL2614862 0.83 PRKCI (0.54) PRKCIHTR2CCHRM4KDM4EMAPT
SCHEMBL1321338 0.82 PRKCI (0.51) PRKCIHTR2CCHRM4KDM4EPRKCZ
SCHEMBL1321733 0.81 PRKCI (0.52) PRKCIHTR2CCHRM4KDM4EMAPT
SCHEMBL5731354 0.81 PRKCI (0.69) PRKCIHTR2CCHRM4KDM4EMAPT
SCHEMBL5731318 0.81 HTR2C (0.60) PRKCIHTR2CCHRM4KDM4EMAPT

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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