SCHEMBL14620847

SCHEMBL14620847

COc1cc(-c2cnc3[nH]cc(C#Cc4cccc(C(=O)O)c4)c3c2)ccc1C(C)O

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 13/20 0.62
AXL P30530 3/20 0.47
KIT P10721 2/20 0.45
NEK1 Q96PY6 1/20 0.44
MAP3K11 Q16584 1/20 0.43

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
SCHEMBL14620868 0.93 AAK1 (0.60) AAK1AXLKITNEK1MAP3K11
SCHEMBL858010 0.89 AAK1 (0.78) AAK1AXLKIT
SCHEMBL857745 0.82 AAK1 (0.75) AAK1AXLKITNEK1
SCHEMBL856906 0.78 AAK1 (1.00) AAK1KIT
SCHEMBL878825 0.73 KIT (0.76) AAK1AXLKITNEK1
SCHEMBL16720076 0.71 AAK1 (0.51) AAK1AXL
SCHEMBL1516714 0.70 AXL (0.73) AAK1AXLKITNEK1
SCHEMBL1516745 0.68 AAK1 (0.64) AAK1AXLNEK1
SCHEMBL3764549 0.68 AAK1 (0.77) AAK1AXLKITMAP3K11
SCHEMBL14620778 0.67 BRD4 (0.63) AXLMAP3K11

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
WO-2007002433-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 WO disclosed