SCHEMBL18238751

SCHEMBL18238751

NC(=O)C=Cc1c[nH]c2ncc(Cc3ccc(F)cc3F)cc12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAP3K7 O43318 11/20 0.46
▸ TAB1 Q15750 11/20 0.46
▸ TDO2 P48775 1/20 0.40
▸ NTRK1 P04629 3/20 0.39
▸ GSK3B P49841 2/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ CLK1 P49759 1/20 0.36
▸ PRMT5 O14744 1/20 0.34
▸ WDR77 Q9BQA1 1/20 0.34

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
SCHEMBL16945147 1.00 MAP3K7 (0.46) MAP3K7TAB1TDO2NTRK1GSK3B
SCHEMBL18250526 0.90 TDO2 (0.40) MAP3K7TAB1TDO2NTRK1GSK3B
SCHEMBL16945189 0.87 MAP3K7 (0.46) MAP3K7TAB1TDO2NTRK1GSK3B
SCHEMBL18238269 0.87 MAP3K7 (0.46) MAP3K7TAB1TDO2NTRK1GSK3B
SCHEMBL16932992 0.81 AXL (0.44) MAP3K7TAB1TDO2NTRK1GSK3B
SCHEMBL16932991 0.81 AXL (0.44) MAP3K7TAB1TDO2NTRK1GSK3B
SCHEMBL16945143 0.81 MAP3K7 (0.53) MAP3K7TAB1NTRK1GSK3B
SCHEMBL18238627 0.81 MAP3K7 (0.53) MAP3K7TAB1NTRK1GSK3B
SCHEMBL24197757 0.79 MAP3K7 (0.46) MAP3K7TAB1TDO2GSK3BCLK1
SCHEMBL18250523 0.77 GSK3B (0.41) MAP3K7TAB1TDO2NTRK1GSK3B

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
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