SCHEMBL6615137

SCHEMBL6615137

O=C(Nc1ccc(O)c(-c2cc(C3CCCC3)n(C(=O)NCc3ccc(F)cc3)n2)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 8/20 0.41
▸ CCR2 P41597 5/20 0.41
▸ USP36 Q9P275 1/20 0.41
▸ BRAF P15056 5/20 0.40
▸ ADCY8 P40145 1/20 0.40
▸ ADCY1 Q08828 1/20 0.40
▸ DDR2 Q16832 1/20 0.40
▸ ACKR3 P25106 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.40

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 0.93 RAF1 (0.44) RAF1BRAFACKR3POLBCTDSP1
SCHEMBL6618212 0.93 CCR2 (0.43) RAF1CCR2USP36BRAFDDR2
SCHEMBL6617712 0.92 RAF1 (0.44) RAF1CCR2BRAFPOLB
SCHEMBL6685899 0.90 RAF1 (0.42) RAF1BRAFACKR3POLB
SCHEMBL6616122 0.89 RAF1 (0.46) RAF1BRAFADCY8ADCY1DDR2
SCHEMBL6672260 0.89 MEN1 (0.45) RAF1CCR2BRAF
SCHEMBL6614038 0.88 KCNK3 (0.44) RAF1CCR2BRAFADCY8ADCY1
SCHEMBL6621242 0.87 TP53 (0.49) RAF1CCR2BRAFADCY8ADCY1
SCHEMBL6617382 0.87 RAF1 (0.42) RAF1BRAFADCY8ADCY1POLB
SCHEMBL6618645 0.86 TP53 (0.49) RAF1CCR2BRAFDDR2POLB

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 claimed
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 claimed
Send feedback