SCHEMBL5799775

SCHEMBL5799775

Fc1ccc(CNc2nc(-n3ccnc3)nc3sc4c(c23)CCCC4)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HTT P42858 2/20 0.53
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
PRKCI P41743 10/20 0.50
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49
PDE5A O76074 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PARP14 Q460N5 1/20 0.46
FGFR1 P11362 1/20 0.45
PTGS2 P35354 1/20 0.45

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
SCHEMBL5798508 0.91 PDE5A (0.57) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL5801996 0.90 HTT (0.48) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL7129570 0.86 HTT (0.48) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL5781158 0.84 MEN1 (0.53) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL5780076 0.83 MEN1 (0.52) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL5798039 0.83 PTPN12 (0.47) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL5801995 0.83 NOS2 (0.46) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL5802113 0.83 MAPT (0.48) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL7125609 0.82 HTT (0.55) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL8205107 0.81 HTT (0.44) MEN1KMT2AHTTMAPTSMN1; 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 7 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
EP-0920431-B1 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 2003-02-26 EP disclosed
US-6133271-A Method for inhibiting neoplastic cells and related conditions by exposure thienopyrimidine derivatives CELL PATHWAYS, INC. (US) 2000-10-17 US 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