SCHEMBL13575104

SCHEMBL13575104

Bc1cc(OC)c2ccn(-c3nc(N)ncc3F)c2c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TTBK1 Q5TCY1 2/20 0.39
▸ P2RX3 P56373 5/20 0.36
▸ P2RX2 Q9UBL9 5/20 0.36
▸ PIK3CA P42336 2/20 0.34
▸ RPS6KA5 O75582 1/20 0.33
▸ ROCK1 Q13464 2/20 0.33
▸ ALOX5AP P20292 1/20 0.32
▸ DHFR P00374 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ FFAR4 Q5NUL3 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
SCHEMBL1613738 0.86 TTBK1 (0.39) TTBK1P2RX3P2RX2PIK3CARPS6KA5
SCHEMBL12743214 0.80 TTBK1 (0.37) TTBK1P2RX3P2RX2PIK3CAFFAR4
SCHEMBL1613405 0.76 MAP3K14 (0.44) TTBK1
SCHEMBL13575032 0.75 JAK2 (0.34) TTBK1P2RX3P2RX2DHFRHTT
SCHEMBL13575034 0.75 ALDH1A1 (0.33) P2RX3P2RX2
SCHEMBL21282714 0.68 RPS6KA5 (0.60) RPS6KA5ROCK1HTTFFAR4
SCHEMBL16610267 0.67 CDC7 (0.41) TTBK1RPS6KA5ROCK1
SCHEMBL20357857 0.65 TTBK1 (0.51) TTBK1P2RX3P2RX2ROCK1DHFR
SCHEMBL1612241 0.64 CDC7 (0.63) TTBK1ROCK1
SCHEMBL1613330 0.62 ERN1 (0.36) P2RX3P2RX2

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-2009158011-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2009-12-30 — — WO disclosed
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