SCHEMBL5777468

SCHEMBL5777468

c1ccc(-c2nc(NCCc3ccc4c(c3)OCO4)c3c4c(sc3n2)CCCC4)nc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 12/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PRKCZ Q05513 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PTGS2 P35354 1/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL5778467 0.91 MEN1 (0.52) PRKCIMEN1KMT2APRKCZSMN1; SMN2
SCHEMBL5780344 0.89 PRKCI (0.49) PRKCIPRKCZSMN1; SMN2HTTKDM4E
SCHEMBL5777737 0.86 METAP1 (0.54) PRKCIMEN1KMT2APRKCZSMN1; SMN2
SCHEMBL5781173 0.86 MEN1 (0.52) PRKCIMEN1KMT2APRKCZSMN1; SMN2
SCHEMBL5780867 0.85 PRKCI (0.66) PRKCIPRKCZ
SCHEMBL5127817 0.84 METAP1 (0.44) PRKCIMEN1KMT2ASMN1; SMN2HTT
SCHEMBL5780464 0.84 KDM4E (0.59) PRKCIMEN1KMT2APRKCZSMN1; SMN2
SCHEMBL5802431 0.84 PRKCI (0.47) PRKCIPRKCZSMN1; SMN2HTTALDH1A1
SCHEMBL5128232 0.83 METAP1 (0.49) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL5119891 0.83 METAP1 (0.44) KMT2ASMN1; SMN2HTTKDM4EALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685136-A1 USE OF THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 2006-08-02 EP disclosed
WO-2005047292-A1 USE OF THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 2005-05-26 WO disclosed
US-6110920-A TREATMENT OF CARDIOVASCULAR DISORDERS AND IMPOTENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-29 US disclosed