SCHEMBL5875577

SCHEMBL5875577

Cc1cccc(-c2nocc2-c2ccc3nccc(Cl)c3c2)n1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 19/20 0.48
▸ DYRK1B Q9Y463 1/20 0.42
▸ MAPK14 Q16539 7/20 0.41
▸ KDR P35968 3/20 0.40
▸ THRB P10828 1/20 0.38

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
SCHEMBL415014 0.84 TGFBR1 (0.67) TGFBR1MAPK14
SCHEMBL5875521 0.77 TGFBR1 (0.60) TGFBR1MAPK14THRB
SCHEMBL5875566 0.75 TGFBR1 (0.45) TGFBR1MAPK14KDRTHRB
SCHEMBL20193927 0.68 TGFBR1 (0.68) TGFBR1
SCHEMBL21083348 0.68 TGFBR1 (0.69) TGFBR1MAPK14
SCHEMBL3242736 0.67 TGFBR1 (0.48) TGFBR1MAPK14
SCHEMBL24151244 0.67 TGFBR1 (0.53) TGFBR1MAPK14KDR
SCHEMBL18970606 0.66 DYRK1B (0.48) TGFBR1DYRK1B
SCHEMBL29796522 0.66 TGFBR1 (0.47) TGFBR1MAPK14
SCHEMBL23389918 0.66 TGFBR1 (0.47) TGFBR1MAPK14

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-7030125-B2 Isothiazole and isoxazole compounds as transforming growth factor (TGF) inhibitors PFIZER, INC. (US) 2006-04-18 — — US disclosed
EP-1542995-A1 NOVEL ISOTHIAZOLE AND ISOXAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS Pfizer Products Inc. (US) 2005-06-22 — — EP disclosed
US-20040116473-A1 Novel isothiazole and isoxazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC 2004-06-17 — — US disclosed
WO-2004026865-A1 NOVEL ISOTHIAZOLE AND ISOXAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS PFIZER PRODUCTS INC. (US) 2004-04-01 — — WO disclosed
Send feedback