SCHEMBL18686151

SCHEMBL18686151

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CSNK2A1 P68400 3/20 0.34
▸ CACNA1H O95180 2/20 0.34
▸ MET P08581 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ MAP2K1 Q02750 3/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL2126704 0.86 KDM4E (0.38) LMNANPSR1SMN1; SMN2CSNK2A1MET
SCHEMBL2123839 0.85 IMPDH2 (0.38) LMNATSHRNPSR1SMN1; SMN2MET
SCHEMBL2124306 0.84 CSNK2A1 (0.37) CSNK2A1HSD17B10ADORA2AADORA1MAP2K1
SCHEMBL2124785 0.83 BRAF (0.46) LMNACSNK2A1METKDRALDH1A1
SCHEMBL18686163 0.81 NPC1 (0.37) GAASMN1; SMN2CSNK2A1METKDR
SCHEMBL2125785 0.81 EGFR (0.43) CSNK2A1ADORA2AADORA1MAP2K1TUBB4A
SCHEMBL2124727 0.81 SRC (0.44) CSNK2A1ADORA1TUBB4ATUBBTUBA3C
SCHEMBL2122690 0.81 LMNA (0.43) LMNASMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL2127740 0.80 ROCK2 (0.40) LMNASMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL2125749 0.80 ROCK2 (0.40) LMNASMN1; SMN2ALDH1A1HPGDHSD17B10

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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