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SCHEMBL6685899

SCHEMBL6685899

CCCNC(=O)n1nc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2O)cc1C1CCCC1.O=C(Nc1ccc(O)c(-c2cc(C3CCCC3)n(C(=O)NCc3ccccc3)n2)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 14/20 0.42
▸ BRAF P15056 10/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ ACKR3 P25106 2/20 0.39
▸ KCNK3 O14649 1/20 0.39

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
SCHEMBL6620165 0.94 RAF1 (0.44) RAF1BRAFPOLBACKR3KCNK3
SCHEMBL6615137 0.90 RAF1 (0.41) RAF1BRAFPOLBACKR3
SCHEMBL6619971 0.90 RAF1 (0.43) RAF1BRAFPOLBACKR3KCNK3
SCHEMBL6614038 0.89 KCNK3 (0.44) RAF1BRAFPOLBACKR3KCNK3
SCHEMBL6617712 0.89 RAF1 (0.44) RAF1BRAFPOLBKCNK3
SCHEMBL6651874 0.89 POLB (0.47) RAF1BRAFALDH1A1POLB
SCHEMBL6616122 0.89 RAF1 (0.46) RAF1BRAFPOLB
SCHEMBL6672260 0.88 MEN1 (0.45) RAF1BRAFKCNK3
SCHEMBL6617441 0.85 RAF1 (0.45) RAF1BRAF
SCHEMBL6621242 0.85 TP53 (0.49) RAF1BRAFACKR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 — — EP disclosed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 — — WO disclosed
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