SCHEMBL5731146

SCHEMBL5731146

COc1ccc(-c2cc(C)c3c(n2)sc2c(N4CCNCC4)nc(Cl)nc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 4/20 0.52
▸ KDM4E B2RXH2 4/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ UBE2N P61088 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HTR2C P28335 2/20 0.42
▸ PIM1 P11309 1/20 0.41
▸ PIM3 Q86V86 1/20 0.41
▸ TLR9 Q9NR96 1/20 0.41
▸ TLR7 Q9NYK1 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.39
▸ PRKCZ Q05513 1/20 0.39
▸ HTR3E A5X5Y0 1/20 0.38
▸ HTR3B O95264 1/20 0.38
▸ HTR3A P46098 1/20 0.38
▸ HTR3D Q70Z44 1/20 0.38
▸ HTR3C Q8WXA8 1/20 0.38
▸ CHRM4 P08173 2/20 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
SCHEMBL1321338 0.89 PRKCI (0.51) PRKCIKDM4EALDH1A1KMT2AHTR2C
SCHEMBL5730721 0.89 PRKCI (0.56) PRKCIKDM4EKMT2AHTR2CPRKCZ
SCHEMBL1320517 0.86 PRKCI (0.49) PRKCIKDM4EALDH1A1POLBGAA
SCHEMBL5732076 0.85 PRKCI (0.58) PRKCIKDM4EHTR2CPRKCZCHRM4
SCHEMBL2614862 0.81 PRKCI (0.54) PRKCIKDM4EKMT2AHTR2CPRKCZ
SCHEMBL5731354 0.81 PRKCI (0.69) PRKCIKDM4EKMT2AHTR2CNPSR1
SCHEMBL1321633 0.79 ALDH1A1 (0.48) PRKCIKDM4EALDH1A1POLBGAA
SCHEMBL5731659 0.79 HTR2C (0.62) PRKCIKMT2AHTR2CPRKCZMAPT
Hydrochloric Acid SCHEMBL1320514 0.78 ALDH1A1 (0.47) PRKCIKDM4EALDH1A1POLBGAA
SCHEMBL1321699 0.77 PRKCI (0.52) PRKCIKDM4EALDH1A1POLBKMT2A

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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