SCHEMBL18686163

SCHEMBL18686163

COc1cc(-c2[nH]c3c(C#N)cnn3c2Nc2ccc(C(=O)O)cc2)cc(O)c1OC

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TPMT P51580 1/20 0.36
▸ NEK2 P51955 1/20 0.36
▸ PTK2 Q05397 1/20 0.36
▸ CSNK2A1 P68400 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ MAOB P27338 1/20 0.35
▸ F11 P03951 4/20 0.35
▸ KLKB1 P03952 4/20 0.35
▸ MET P08581 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CASP6 P55212 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ XDH P47989 1/20 0.35

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
SCHEMBL2123211 0.94 TP53 (0.38) MAPTSMN1; SMN2PTK2CSNK2A1FYN
SCHEMBL18686160 0.90 F11 (0.38) NEK2CSNK2A1FYNMAOBF11
SCHEMBL2124001 0.88 CSNK2A1 (0.43) CSNK2A1
SCHEMBL2122928 0.86 CSNK2A1 (0.37) CSNK2A1FYN
SCHEMBL18686166 0.86 CSNK2A1 (0.45) MAPTSMN1; SMN2PTK2CSNK2A1MET
SCHEMBL2124785 0.85 BRAF (0.46) MAPTCSNK2A1FYNMETKDR
SCHEMBL2126704 0.83 KDM4E (0.38) SMN1; SMN2CSNK2A1METKDRPOLB
SCHEMBL2125785 0.83 EGFR (0.43) PTK2CSNK2A1
SCHEMBL2124547 0.83 MAPT (0.42) MAPTSMN1; SMN2PTK2CSNK2A1POLB
SCHEMBL2123791 0.83 MAPT (0.43) GAAMAPTSMN1; SMN2POLBL3MBTL1

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-2443123-B1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) RIGEL PHARMACEUTICALS INC (US) 2017-04-05 — — EP claimed
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