SCHEMBL5777737

SCHEMBL5777737

c1ccc(CCNc2nc(-c3ccccn3)nc3sc4c(c23)CCCC4)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 3/20 0.54
KMT2A Q03164 3/20 0.54
JAK2 O60674 1/20 0.54
PPP1CA P62136 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
PRKCI P41743 13/20 0.53
PRKCZ Q05513 1/20 0.53
MEN1 O00255 2/20 0.52
METAP2 P50579 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
RAB9A P51151 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL5780203 0.90 PDE5A (0.62) KMT2APRKCIPRKCZMEN1SMN1; SMN2
SCHEMBL5777468 0.86 PRKCI (0.47) KMT2APRKCIPRKCZMEN1SMN1; SMN2
SCHEMBL5781941 0.85 PRKCI (0.74) PRKCIPRKCZ
SCHEMBL5781850 0.84 MEN1 (0.57) KMT2APRKCIPRKCZMEN1SMN1; SMN2
SCHEMBL5782225 0.82 KDM4E (0.63) KMT2APRKCIPRKCZMEN1SMN1; SMN2
SCHEMBL5800802 0.82 PRKCI (0.52) KMT2APRKCIPRKCZMEN1SMN1; SMN2
SCHEMBL13164900 0.81 SMN1; SMN2 (0.73) KMT2APRKCIMEN1SMN1; SMN2KDM4E
SCHEMBL5779654 0.81 MEN1 (0.54) KMT2APRKCIPRKCZMEN1SMN1; SMN2
SCHEMBL8180415 0.80 PTGS2 (0.63) KMT2AL3MBTL1PRKCIPRKCZMEN1
SCHEMBL7522396 0.79 MEN1 (0.52) KMT2APRKCIPRKCZMEN1SMN1; SMN2

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 5 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
EP-0920431-A1 THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 1999-06-09 EP disclosed
WO-1998006722-A1 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 1998-02-19 WO disclosed