SCHEMBL7129443

SCHEMBL7129443

Clc1ccc(CNc2nc(-n3cncn3)nc3sc4c(c23)CCCC4)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 7/20 0.47
MAPT P10636 6/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PDE5A O76074 1/20 0.43
LMNA P02545 3/20 0.42
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 5/20 0.42
ALOX15 P16050 3/20 0.42
USP2 O75604 2/20 0.42
GAA P10253 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
MAPK1 P28482 3/20 0.41
GLA P06280 2/20 0.41
ATM Q13315 2/20 0.41
POLB P06746 2/20 0.41
TSHR P16473 2/20 0.41

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
SCHEMBL5781373 0.90 MAPT (0.45) HTTMAPTSMN1; SMN2NPSR1MEN1
SCHEMBL7126312 0.87 PDE5A (0.59) HTTMAPTSMN1; SMN2NPSR1MEN1
SCHEMBL5782312 0.87 HTT (0.45) HTTMAPTSMN1; SMN2NPSR1MEN1
SCHEMBL5780076 0.86 MEN1 (0.52) HTTMAPTSMN1; SMN2NPSR1MEN1
SCHEMBL7121344 0.85 HTT (0.47) HTTMAPTSMN1; SMN2NPSR1MEN1
SCHEMBL5777730 0.85 MAPT (0.47) HTTMAPTSMN1; SMN2NPSR1MEN1
SCHEMBL5777372 0.85 PTPN12 (0.45) HTTMAPTSMN1; SMN2NPSR1MEN1
SCHEMBL7129570 0.84 HTT (0.48) HTTMAPTSMN1; SMN2NPSR1MEN1
SCHEMBL5115157 0.82 ADORA2A (0.42) HTTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL5128545 0.82 PDE10A (0.36) LMNAKDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920431-B1 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 2003-02-26 EP disclosed
US-6432950-B1 ANTICANCER AGENTS; KILLING CANCER CELLS CELL PATHWAYS 2002-08-13 US 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