SCHEMBL18238176

SCHEMBL18238176

CC(C)(C)CNc1cnc2[nH]cc(C=CC(N)=O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAP3K7 O43318 14/20 0.48
▸ TAB1 Q15750 14/20 0.48
▸ CLK1 P49759 3/20 0.36
▸ DYRK1A Q13627 2/20 0.34
▸ MAPK8 P45983 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
SCHEMBL16949415 1.00 MAP3K7 (0.48) MAP3K7TAB1CLK1DYRK1AMAPK8
SCHEMBL4346952 0.81 MAP3K7 (0.43) MAP3K7TAB1CLK1DYRK1A
SCHEMBL4346955 0.81 MAP3K7 (0.43) MAP3K7TAB1CLK1DYRK1A
SCHEMBL16932988 0.80 MAP3K7 (0.47) MAP3K7TAB1
SCHEMBL16932989 0.80 MAP3K7 (0.47) MAP3K7TAB1
SCHEMBL16949265 0.80 MAP3K7 (0.59) MAP3K7TAB1
SCHEMBL18238757 0.80 MAP3K7 (0.59) MAP3K7TAB1
SCHEMBL4350414 0.78 MAP3K7 (0.46) MAP3K7TAB1
SCHEMBL4350420 0.78 MAP3K7 (0.46) MAP3K7TAB1
SCHEMBL4346854 0.78 MAP3K7 (0.47) MAP3K7TAB1

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
US-9499551-B2 Substituted pyrrolo[2,3-b]pyridines for treating cancer or inflammatory diseases CONFLUENCE LIFE SCIENCES, INC. (US) 2016-11-22 — — US disclosed
Send feedback