SCHEMBL5730181

SCHEMBL5730181

COc1nc(N2CCNCC2)c2sc3nc(C)cc(-c4ccccc4)c3c2n1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 7/20 0.54
▸ HTR2C P28335 1/20 0.43
▸ KDM4E B2RXH2 5/20 0.42
▸ MAPT P10636 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CHRM4 P08173 2/20 0.39
▸ NPY5R Q15761 2/20 0.38
▸ IKBKB O14920 1/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ GAA P10253 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
SCHEMBL1322761 0.90 PRKCI (0.52) PRKCIHTR2CKDM4EMAPTALDH1A1
Hydrochloric Acid SCHEMBL1321749 0.89 PRKCI (0.51) PRKCIHTR2CKDM4EMAPTALDH1A1
SCHEMBL5731318 0.86 HTR2C (0.60) PRKCIHTR2CKDM4EMAPTCHRM4
SCHEMBL5731174 0.85 PRKCI (0.66) PRKCIKDM4EMAPTMAPK1TSHR
SCHEMBL2614862 0.85 PRKCI (0.54) PRKCIHTR2CKDM4EMAPTTP53
SCHEMBL5732255 0.81 PRKCI (0.44) PRKCIHTR2CKDM4EALDH1A1CYP1A2
SCHEMBL19805185 0.78 PRKCI (0.48) PRKCIHTR2CMAPTALDH1A1MAPK1
SCHEMBL1322086 0.77 PRKCI (0.43) PRKCIHTR2CKDM4EMAPTALDH1A1
SCHEMBL5731659 0.76 HTR2C (0.62) PRKCIHTR2CMAPTTDP1KMT2A
SCHEMBL1322263 0.75 PRKCI (0.50) PRKCIHTR2CKDM4EMAPTMAPK1

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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