SCHEMBL18800692

SCHEMBL18800692

CN(C)C(=O)c1cccc(-c2cnc(-c3ccc(OC4C=CC=CC4)cc3)c(C(=N)N)c2N)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TEK Q02763 1/20 0.35
▸ F10 P00742 3/20 0.34
▸ MTOR P42345 2/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ MAPK14 Q16539 1/20 0.33
▸ F2 P00734 2/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ MKNK1 Q9BUB5 1/20 0.33
▸ MKNK2 Q9HBH9 1/20 0.33
▸ KCNA5 P22460 1/20 0.32
▸ FYN P06241 3/20 0.32
▸ IGF1R P08069 1/20 0.32
▸ ADK P55263 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.31
▸ TNIK Q9UKE5 1/20 0.31
▸ AXL P30530 1/20 0.31
▸ MERTK Q12866 1/20 0.31

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
SCHEMBL18800829 0.90 TNK2 (0.34) F10F2FYNAXL
SCHEMBL18800693 0.82 IGF1R (0.46) TEKF10F2CDK1CDK2
SCHEMBL18800818 0.74 TNK2 (0.35) F10F2
SCHEMBL18800881 0.71 F10 (0.46) TEKF10MTORPIK3CAF2
SCHEMBL18800831 0.71 TNK2 (0.50) F10F2AXL
SCHEMBL18800758 0.69 DYRK1A (0.33) MTORPIK3CA
SCHEMBL18800691 0.69 BTK (0.43) F10FYN
SCHEMBL18800654 0.68 MKNK1 (0.35) MKNK1MKNK2
SCHEMBL18800767 0.66 RAB9A (0.48) F10MTORPIK3CALRRK2
SCHEMBL18800914 0.66 CFD (0.45) MAPK14CDK1MKNK2FYNSMN1; SMN2

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
EP-2789615-B1 Azaindazoles as Btk kinase modulators and use thereof BRISTOL MYERS SQUIBB CO (US) 2017-05-03 — — EP disclosed
Send feedback