SCHEMBL7129570

SCHEMBL7129570

Clc1ccc(CNc2nc(-n3ccnc3)nc3sc4c(c23)CCCC4)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 7/20 0.48
MAPT P10636 5/20 0.48
MEN1 O00255 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KMT2A Q03164 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 4/20 0.44
ALOX15 P16050 3/20 0.42
LMNA P02545 3/20 0.42
USP2 O75604 2/20 0.42
PDE5A O76074 3/20 0.42
PRKCI P41743 3/20 0.41
PARP14 Q460N5 1/20 0.41
GAA P10253 3/20 0.41
HPGD P15428 3/20 0.41
MAPK1 P28482 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
SCHEMBL5798360 0.90 PDE5A (0.47) HTTMAPTMEN1SMN1; SMN2KMT2A
SCHEMBL5801996 0.87 HTT (0.48) HTTMAPTMEN1SMN1; SMN2KMT2A
SCHEMBL5798508 0.87 PDE5A (0.57) HTTMAPTMEN1SMN1; SMN2KMT2A
SCHEMBL5801995 0.86 NOS2 (0.46) HTTMAPTMEN1SMN1; SMN2KMT2A
SCHEMBL5799775 0.86 MEN1 (0.53) HTTMAPTMEN1SMN1; SMN2KMT2A
SCHEMBL5798039 0.85 PTPN12 (0.47) HTTMAPTMEN1SMN1; SMN2KMT2A
SCHEMBL5802113 0.85 MAPT (0.48) HTTMAPTMEN1SMN1; SMN2KMT2A
SCHEMBL7129443 0.84 HTT (0.47) HTTMAPTMEN1SMN1; SMN2KMT2A
SCHEMBL7121344 0.84 HTT (0.47) HTTMAPTMEN1SMN1; SMN2KMT2A
SCHEMBL7122823 0.83 HTT (0.50) HTTMAPTMEN1SMN1; SMN2KMT2A

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