SCHEMBL18800693

SCHEMBL18800693

CN(C)C(=O)c1cccc(-c2cnc(-c3ccc(Oc4ccccc4)cc3)c(C(=N)N)c2N)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 4/20 0.46
▸ F10 P00742 7/20 0.46
▸ TNK2 Q07912 2/20 0.42
▸ F2 P00734 3/20 0.41
▸ BTK Q06187 4/20 0.41
▸ KCNA5 P22460 1/20 0.40
▸ TEK Q02763 1/20 0.40
▸ CDK1 P06493 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ MKNK1 Q9BUB5 1/20 0.39
▸ MKNK2 Q9HBH9 1/20 0.39

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
SCHEMBL18800831 0.89 TNK2 (0.50) F10TNK2F2BTK
SCHEMBL18800881 0.89 F10 (0.46) IGF1RF10TNK2F2BTK
SCHEMBL18800691 0.86 BTK (0.43) F10TNK2BTK
SCHEMBL18800635 0.83 BTK (0.48) TNK2BTK
SCHEMBL18800914 0.82 CFD (0.45) CDK1MKNK2
SCHEMBL18800692 0.82 TEK (0.35) IGF1RF10F2KCNA5TEK
SCHEMBL18800767 0.81 RAB9A (0.48) F10TNK2BTK
SCHEMBL6116531 0.79 BTK (0.61) IGF1RTNK2BTK
SCHEMBL18800755 0.78 TNK2 (0.50) F10TNK2F2BTK
SCHEMBL18800411 0.76 BTK (0.56) TNK2BTK

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
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