SCHEMBL6614038

SCHEMBL6614038

O=C(Nc1ccc(-c2cc(C3CCC3)n(C(=O)NCc3ccccc3)n2)c(O)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 1/20 0.44
▸ RAF1 P04049 4/20 0.43
▸ LMNA P02545 2/20 0.43
▸ BRAF P15056 3/20 0.43
▸ ACKR3 P25106 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ CTDSP1 Q9GZU7 1/20 0.42
▸ KCNJ6 P48051 2/20 0.41
▸ KCNJ5 P48544 2/20 0.41
▸ KCNJ3 P48549 2/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ADCY8 P40145 1/20 0.41
▸ ADCY1 Q08828 1/20 0.41
▸ CCR2 P41597 1/20 0.41
▸ SLC1A3 P43003 1/20 0.40
▸ SLC1A2 P43004 1/20 0.40
▸ SLC1A1 P43005 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 0.95 RAF1 (0.44) KCNK3RAF1LMNABRAFACKR3
SCHEMBL6618212 0.91 CCR2 (0.43) KCNK3RAF1LMNABRAFPOLB
SCHEMBL6685899 0.89 RAF1 (0.42) KCNK3RAF1BRAFACKR3POLB
SCHEMBL6617712 0.89 RAF1 (0.44) KCNK3RAF1LMNABRAFPOLB
SCHEMBL6651874 0.88 POLB (0.47) RAF1BRAFPOLBCTDSP1PTGS1
SCHEMBL6672260 0.88 MEN1 (0.45) KCNK3RAF1BRAFRAB9ACCR2
SCHEMBL6619971 0.88 RAF1 (0.43) KCNK3RAF1LMNABRAFACKR3
SCHEMBL6615137 0.88 RAF1 (0.41) RAF1BRAFACKR3POLBCTDSP1
SCHEMBL6615089 0.88 POLB (0.42) KCNK3RAF1LMNABRAFPOLB
SCHEMBL6618415 0.87 MEN1 (0.44) LMNAACKR3RAB9A

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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