SCHEMBL13575032

SCHEMBL13575032

Bc1cc(OC)c2c(CO)cn(-c3nc(N)ncc3F)c2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ TTBK1 Q5TCY1 1/20 0.33
▸ DHFR P00374 2/20 0.32
▸ NUDT1 P36639 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ SLC22A1 O15245 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ P2RX3 P56373 2/20 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
SCHEMBL1612242 0.88 MAPT (0.36) JAK2JAK1TYK2KDRJAK3
SCHEMBL12742542 0.83 ALOX15 (0.32) JAK2JAK1TYK2KDRJAK3
SCHEMBL13575034 0.82 ALDH1A1 (0.33) JAK2JAK1TYK2KDRJAK3
SCHEMBL1613437 0.79 PAK4 (0.38) TTBK1
SCHEMBL13575104 0.75 TTBK1 (0.39) TTBK1DHFRP2RX3P2RX2HTT
SCHEMBL1613330 0.69 ERN1 (0.36) JAK2JAK1TYK2KDRJAK3
SCHEMBL16610261 0.63 DYRK1A (0.32) —
SCHEMBL16610225 0.62 — —
SCHEMBL1613738 0.62 TTBK1 (0.39) TTBK1DHFRP2RX3P2RX2HTT
SCHEMBL16610228 0.61 TTBK1 (0.36) TTBK1NUDT1

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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