SCHEMBL6207968

SCHEMBL6207968

CCC(Nc1nc(N)nc(Nc2ccc(OC)c(F)c2)n1)C1CCCN1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 7/20 0.42
GALR2 O43603 6/20 0.40
PIK3CA P42336 1/20 0.39
CDK1 P06493 2/20 0.38
CDK4 P11802 2/20 0.38
CCNB1 P14635 2/20 0.38
CCND1 P24385 2/20 0.38
CCNE1 P24864 2/20 0.38
CDK2 P24941 2/20 0.38
MAPK1 P28482 2/20 0.37
ROCK1 Q13464 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
AGPAT2 O15120 1/20 0.36
ROCK2 O75116 1/20 0.36
EHMT2 Q96KQ7 1/20 0.35
EHMT1 Q9H9B1 1/20 0.35
SOS1 Q07889 1/20 0.35

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
SCHEMBL4832502 0.95 GALR1 (0.45) GALR1GALR2CDK1CDK4CCNB1
SCHEMBL6209167 0.91 ROCK2 (0.36) GALR1GALR2PIK3CACDK1CDK4
SCHEMBL6209108 0.91 ROCK1 (0.37) GALR1GALR2ROCK1AGPAT2ROCK2
SCHEMBL6208303 0.91 P2RX3 (0.37) GALR1ROCK1ROCK2SOS1
SCHEMBL5035750 0.91 GALR1 (0.42) GALR1GALR2CDK1CDK4CCNB1
SCHEMBL5434500 0.91 GALR1 (0.42) GALR1GALR2CDK1CDK4CCNB1
SCHEMBL4832251 0.90 GALR1 (0.42) GALR1GALR2CDK1CDK4CCNB1
SCHEMBL5553430 0.90 GALR1 (0.41) GALR1GALR2CDK1CDK4CCNB1
SCHEMBL5549825 0.89 MAPK1 (0.40) GALR1GALR2CDK1CDK4CCNB1
SCHEMBL4832646 0.89 GALR1 (0.44) GALR1GALR2MAPK1

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-1560817-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS Reddy US Therapeutics, Inc. (US) 2005-08-10 EP claimed
WO-2004026844-A9 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS INC (US) 2004-11-11 WO claimed
WO-2004026844-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS, INC. (US) 2004-04-01 WO claimed
WO-2004056396-A1 DOSAGE FORMS OF CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS AND HMG-CoA REDUCTASE INHIBITORS WITH IMPROVED PERFORMANCE PFIZER PRODUCTS INC. (US) 2004-07-08 WO disclosed
EP-1401503-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING A SOLID DISPERSION OF A POORLY-SOLUBLE DRUG IN A MATRIX AND A SOLUBILITY-ENHANCING POLYMER Pfizer Products Inc. (US) 2004-03-31 EP disclosed
WO-2003000294-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING A SOLID DISPERSION OF A POORLY-SOLUBLE DRUG IN A MATRIX AND A SOLUBILITY-ENHANCING POLYMER PFIZER PRODUCTS INC. (US) 2003-01-03 WO disclosed