SCHEMBL4863399

SCHEMBL4863399

Cc1ccc(N(C(=O)O)C(C)(C)C)cc1NC(=O)c1cnc2[nH]ccc2c1Cl

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 1/20 0.42
▸ PRKCI P41743 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.41
▸ BRAF P15056 7/20 0.37
▸ LMNA P02545 1/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ RAF1 P04049 1/20 0.34
▸ ARAF P10398 1/20 0.34
▸ MGLL Q99685 1/20 0.34
▸ MALT1 Q9UDY8 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ THRB P10828 1/20 0.33

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
SCHEMBL4789344 0.81 AXL (0.48) AXLPRKCIRXFP1BRAFLMNA
SCHEMBL14026833 0.78 BRAF (0.42) AXLPRKCIRXFP1BRAFJAK2
SCHEMBL4790006 0.73 RAF1 (0.51) RXFP1BRAFRAF1
SCHEMBL22457384 0.72 MAPK14 (0.61) BRAFKDM4ERAF1POLB
SCHEMBL4790008 0.72 BRAF (0.62) BRAFRAF1
SCHEMBL29378769 0.70 AXL (0.55) AXLPRKCIJAK2JAK1TYK2
SCHEMBL12876546 0.70 AXL (0.55) AXLPRKCIJAK2JAK1TYK2
SCHEMBL26882821 0.69 BRAF (0.55) BRAFRAF1ARAF
SCHEMBL14026834 0.69 AXL (0.40) AXLPRKCIBRAFLMNAJAK2
SCHEMBL17980470 0.68 NR3C1 (0.56) AXLPRKCI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008144253-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2008-11-27 — — WO disclosed
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