SCHEMBL5731432

SCHEMBL5731432

Cc1cc(-c2ccccc2)nc2sc3c(N4CCNCC4)nc(OCC(F)(F)F)nc3c12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 6/20 0.49
▸ KDM4E B2RXH2 3/20 0.38
▸ CHRM4 P08173 2/20 0.37
▸ ABCB1 P08183 1/20 0.37
▸ ABCG2 Q9UNQ0 1/20 0.37
▸ PRKCZ Q05513 1/20 0.36
▸ TSHR P16473 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HTR2C P28335 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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 0.90 PRKCI (0.52) PRKCIKDM4ECHRM4ABCB1ABCG2
Hydrochloric Acid SCHEMBL5729967 0.89 PRKCI (0.51) PRKCIKDM4ECHRM4ABCB1ABCG2
SCHEMBL1321209 0.88 PRKCI (0.49) PRKCIKDM4ECHRM4ABCB1ABCG2
SCHEMBL1322263 0.88 PRKCI (0.50) PRKCIKDM4ECHRM4ABCB1ABCG2
SCHEMBL1322016 0.88 PRKCI (0.50) PRKCIKDM4ECHRM4ABCB1ABCG2
SCHEMBL2614862 0.87 PRKCI (0.54) PRKCIKDM4ECHRM4PRKCZTSHR
SCHEMBL5731616 0.86 PRKCI (0.54) PRKCIKDM4ECHRM4PRKCZTSHR
SCHEMBL1322562 0.86 PRKCI (0.50) PRKCIKDM4ECHRM4PRKCZTSHR
SCHEMBL1321710 0.85 HPGD (0.42) PRKCIKDM4EPRKCZLMNAMAPT
SCHEMBL1321542 0.84 PRKCI (0.52) PRKCIKDM4ECHRM4PRKCZTSHR

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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