SCHEMBL20726550

SCHEMBL20726550

C1=C\CCCN(c2ccnc(Nc3cccc(Oc4ccccc4)c3)n2)CC\C=C/1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NR2C2 P49116 4/20 0.48
▸ TAB1 Q15750 4/20 0.48
▸ NFKB1 P19838 3/20 0.48
▸ NFKB2 Q00653 3/20 0.48
▸ RELA Q04206 3/20 0.48
▸ SYK P43405 2/20 0.48
▸ KDR P35968 3/20 0.45
▸ FLT1 P17948 2/20 0.45
▸ FLT4 P35916 2/20 0.45
▸ IGF1R P08069 3/20 0.44
▸ ALK Q9UM73 3/20 0.44
▸ MTOR P42345 1/20 0.42
▸ SMG1 Q96Q15 1/20 0.42
▸ CDK2 P24941 1/20 0.41
▸ PLK4 O00444 1/20 0.41
▸ EGFR P00533 1/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.39
▸ CAMK2D Q13557 1/20 0.39
▸ SCN9A Q15858 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
SCHEMBL2374752 0.78 NR2C2 (0.65) NR2C2TAB1NFKB1NFKB2RELA
SCHEMBL30806995 0.78 NR2C2 (0.65) NR2C2TAB1NFKB1NFKB2RELA
SCHEMBL31681845 0.76 SMG1 (0.51) NR2C2TAB1NFKB1NFKB2RELA
SCHEMBL2375211 0.76 SMG1 (0.51) NR2C2TAB1NFKB1NFKB2RELA
SCHEMBL3950037 0.73 CAMK2D (0.65) KDRIGF1RALKMTORSMG1
SCHEMBL3949225 0.72 CAMK2D (0.67) KDRALKMTORSMG1CDK2
SCHEMBL15022537 0.69 ALK (0.86) IGF1RALK
SCHEMBL22860794 0.67 POLB (0.61) KDRSMG1CDK2MKNK1CAMK2D
SCHEMBL28118781 0.67 SMG1 (0.70) NR2C2TAB1IGF1RSMG1CDK2
SCHEMBL1091212 0.66 CXCR4 (0.68) NR2C2TAB1NFKB1NFKB2RELA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3623374-A1 STEM CELL CULTURES The Scripps Research Institute (US) 2020-03-18 — — EP disclosed
EP-3441394-A1 STEM CELL CULTURES The Scripps Research Institute (US) 2019-02-13 — — EP disclosed
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