SCHEMBL18238328

SCHEMBL18238328

COc1ccc(-c2cnc3[nH]cc(C=CC(N)=O)c3c2)cn1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 2/20 0.50
▸ MAP3K11 Q16584 3/20 0.49
▸ MKNK1 Q9BUB5 1/20 0.46
▸ MKNK2 Q9HBH9 1/20 0.46
▸ KIT P10721 4/20 0.44
▸ DYRK1A Q13627 1/20 0.44
▸ AAK1 Q2M2I8 3/20 0.44
▸ AXL P30530 2/20 0.43
▸ PIK3CA P42336 1/20 0.43
▸ SGK1 O00141 1/20 0.42
▸ CAMKK2 Q96RR4 1/20 0.42
▸ MAP3K7 O43318 1/20 0.42
▸ TAB1 Q15750 1/20 0.42

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
SCHEMBL16945204 1.00 PLCG1 (0.50) PLCG1MAP3K11MKNK1MKNK2KIT
SCHEMBL18250496 0.90 PLCG1 (0.51) PLCG1MAP3K11MKNK1MKNK2KIT
SCHEMBL18250478 0.89 MAP3K7 (0.43) PLCG1MAP3K11DYRK1AAXLPIK3CA
SCHEMBL18238121 0.89 MAP3K7 (0.51) PLCG1MAP3K11DYRK1AAAK1AXL
SCHEMBL16945156 0.89 MAP3K7 (0.51) PLCG1MAP3K11DYRK1AAAK1AXL
SCHEMBL16932979 0.88 KIT (0.55) MAP3K11KITDYRK1AAAK1AXL
SCHEMBL16932982 0.88 KIT (0.55) MAP3K11KITDYRK1AAAK1AXL
SCHEMBL18250479 0.88 MAP3K7 (0.52) PLCG1MAP3K11DYRK1AAXLSGK1
SCHEMBL16949124 0.87 MAP3K11 (0.43) PLCG1MAP3K11DYRK1AAXLPIK3CA
SCHEMBL16948961 0.87 PLCG1 (0.52) PLCG1MAP3K11KITDYRK1AAAK1

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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