SCHEMBL4729472

SCHEMBL4729472

Cc1ncc(NC(=O)c2cc(C#N)cc(C(C)(C)C)c2)cc1-c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TEK Q02763 1/20 0.44
MAPT P10636 2/20 0.44
SIRT2 Q8IXJ6 2/20 0.42
GCK P35557 2/20 0.42
SIRT1 Q96EB6 1/20 0.42
SIRT3 Q9NTG7 1/20 0.42
RAF1 P04049 4/20 0.42
BRAF P15056 4/20 0.42
NR1H4 Q96RI1 2/20 0.41
WNT1 P04628 1/20 0.41
DYRK1A Q13627 1/20 0.41
CYP19A1 P11511 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL5482540 0.88 RAB9A (0.48) RAB9ANPC1SMN1; SMN2TEKMAPT
SCHEMBL4728324 0.88 EGFR (0.48) RAB9ASMN1; SMN2TEKMAPTRAF1
SCHEMBL4728013 0.86 RAF1 (0.42) TEKRAF1BRAF
SCHEMBL4725070 0.86 TEK (0.46) TEKRAF1BRAF
SCHEMBL4726247 0.84 RAF1 (0.43) TEKRAF1BRAF
SCHEMBL4565711 0.84 TEK (0.41) RAB9ANPC1SMN1; SMN2TEKMAPT
SCHEMBL4726798 0.82 RAF1 (0.42) TEKRAF1BRAF
SCHEMBL4725698 0.82 RAF1 (0.48) TEKRAF1BRAFNR1H4
SCHEMBL4417839 0.81 MAPK14 (0.45) RAB9ANPC1SMN1; SMN2TEKMAPT
SCHEMBL4725060 0.81 ALDH1A1 (0.46) RAB9ANPC1SMN1; SMN2TEKRAF1

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
WO-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed
WO-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed