SCHEMBL6648353

SCHEMBL6648353

C#Cc1ccc2c(c1)CC1(CC2)OCCO1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.31
AKR1C3 P42330 1/20 0.30

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
SCHEMBL6650236 0.80 BACE1 (0.35)
SCHEMBL3982323 0.78 DRD2 (0.45)
SCHEMBL14192075 0.76 MAPT (0.34)
SCHEMBL6652414 0.76 APP (0.40)
SCHEMBL6687949 0.72 SIGMAR1 (0.40)
SCHEMBL20231828 0.72 ADRA2A (0.50)
SCHEMBL9014737 0.71 TYMS (0.40) TYMSAKR1C3
SCHEMBL14192076 0.70 PNMT (0.47)
SCHEMBL18998250 0.69 ADRA2A (0.40)
SCHEMBL3990720 0.69 APP (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6762188-B1 INHIBITING THYMIDYLATE SYNTHASE; COLON, BREAST OR LUNG CARCINOMA SMITHKLINE BEECHAM CORPORATION 2004-07-13 US disclosed
EP-1199307-B1 Pharmaceutically active benzoquinazoline compounds WELLCOME FOUND (GB) 2004-02-25 EP disclosed
EP-1199307-A1 Pharmaceutically active benzoquinazoline compounds THE WELLCOME FOUNDATION LIMITED (GB) 2002-04-24 EP disclosed
US-6306865-B1 SYNTHASE INHIBITORS AND ANTITUMOR AGENTS GLAXO WELLCOME INC. 2001-10-23 US disclosed
US-6090941-A Pharmaceutically active benzoquinazoline compounds GLAXO WELLCOME INC. (US) 2000-07-18 US disclosed
US-5663337-A ENZYME, ANTITUMOR GLAXO WELLCOME INC. (US) 1997-09-02 US disclosed
US-5661155-A THYMIDYLATE SYNTHASE INHIBITOR; ADMINISTERING TO THE MAMMAL SUFFERING FROM LEUKEMIA OR TUMOR 2-(5-(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZOLINE-9-YL) METHYL)AMINO)-1-OXO-2-ISOINDOLINYL)GLUTARIC ACID OR SALTS GLAXO WELLCOME INC. (US) 1997-08-26 US disclosed
US-5405851-A Administering benzoquinazoline thymidylate synthase inhibitors BURROUGHS WELLCOME CO. (US) 1995-04-11 US disclosed
WO-1991019700-A1 PHARMACEUTICALLY ACTIVE BENZOQUINAZOLINE COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1991-12-26 WO disclosed