SCHEMBL6619971

SCHEMBL6619971

O=C(Nc1ccc(O)c(-c2cc(C3CCC3)n(C(=O)NCCc3ccccc3)n2)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 9/20 0.43
▸ NAMPT P43490 1/20 0.43
▸ BRAF P15056 6/20 0.42
▸ KCNK3 O14649 1/20 0.42
▸ AURKB Q96GD4 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ACKR3 P25106 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ KCNJ6 P48051 1/20 0.40
▸ KCNJ5 P48544 1/20 0.40
▸ KCNJ3 P48549 1/20 0.40
▸ RXFP1 Q9HBX9 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) RAF1BRAFKCNK3LMNAACKR3
SCHEMBL6685899 0.90 RAF1 (0.42) RAF1BRAFKCNK3ACKR3POLB
SCHEMBL6614038 0.88 KCNK3 (0.44) RAF1BRAFKCNK3LMNAACKR3
SCHEMBL6616122 0.87 RAF1 (0.46) RAF1BRAFPOLBCTDSP1
SCHEMBL6672260 0.87 MEN1 (0.45) RAF1BRAFKCNK3
SCHEMBL6617712 0.86 RAF1 (0.44) RAF1BRAFKCNK3LMNAPOLB
SCHEMBL6651874 0.86 POLB (0.47) RAF1BRAFPOLBCTDSP1
SCHEMBL6618475 0.86 RAB9A (0.42) NAMPTPOLBKCNJ6KCNJ5KCNJ3
SCHEMBL6618645 0.86 TP53 (0.49) RAF1BRAFKCNK3LMNAPOLB
SCHEMBL6617441 0.86 RAF1 (0.45) RAF1BRAF

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