SCHEMBL6774500

SCHEMBL6774500

CC/C=C(\CC)c1nc(C)nc2c1c(C)c(C)n2-c1c(C)cc(C)cc1C

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
CRHR1 P34998 14/20 0.53

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
SCHEMBL6774506 1.00 TDP1 (0.53) TDP1CRHR1
SCHEMBL6773800 0.91 CRHR1 (0.54) TDP1CRHR1
SCHEMBL6773802 0.91 CRHR1 (0.54) TDP1CRHR1
SCHEMBL6775651 0.84 CRHR1 (0.57) TDP1CRHR1
SCHEMBL6775657 0.84 CRHR1 (0.57) TDP1CRHR1
SCHEMBL6774814 0.82 CRHR1 (0.55) TDP1CRHR1
SCHEMBL6778812 0.80 CRHR1 (0.53) TDP1CRHR1
SCHEMBL6778804 0.80 CRHR1 (0.53) TDP1CRHR1
SCHEMBL7220617 0.80 CRHR1 (0.53) TDP1CRHR1
SCHEMBL7219698 0.78 CRHR1 (0.53) TDP1CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6765008-B1 PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES; ANXIOLYTIC AGENTS; NERVOUS SYSTEM, BRAIN, PSYCHOLOGICAL, EATING, AND GASTROINTESTINAL DISORDERS; CORTICOTROPIN-RELEASING FACTOR ANTAGONISTS PFIZER INC 2004-07-20 US disclosed
EP-0674641-B1 PYRROLOPYRIMIDINES AS CRF ANTAGONISTS PFIZER (US) 1999-03-03 EP disclosed
EP-0674641-A1 PYRROLOPYRIMIDINES AS CRF ANTAGONISTS PFIZER INC. (US) 1995-10-04 EP disclosed
WO-1994013676-A1 PYRROLOPYRIMIDINES AS CRF ANTAGONISTS PFIZER INC. (US) 1994-06-23 WO disclosed