SCHEMBL6859862

SCHEMBL6859862

[c]1cccc(Nc2nccc(-c3cccnc3)n2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 18/20 0.71
PRKCA P17252 11/20 0.71
PRKCD Q05655 7/20 0.71
EGFR P00533 3/20 0.71
BCR P11274 17/20 0.62
SRC P12931 9/20 0.62
PRKACA P17612 1/20 0.62
PRKACG P22612 1/20 0.62
PRKACB P22694 1/20 0.62
PRKD3 O94806 2/20 0.55
PRKCG P05129 2/20 0.55
PRKCB P05771 2/20 0.55
PRKCH P24723 2/20 0.55
PRKCI P41743 2/20 0.55
PRKCE Q02156 2/20 0.55
PRKCQ Q04759 2/20 0.55
PRKCZ Q05513 2/20 0.55
PRKD1 Q15139 2/20 0.55
LCK P06239 1/20 0.55
ZAP70 P43403 1/20 0.55

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
SCHEMBL16932355 0.85 ABL1 (0.76) ABL1PRKCAPRKCDEGFRBCR
SCHEMBL29618427 0.84 ABL1 (0.85) ABL1PRKCAPRKCDEGFRBCR
SCHEMBL6262145 0.83 ABL1 (1.00) ABL1PRKCAPRKCDEGFRBCR
SCHEMBL3085556 0.81 ABL1 (0.66) ABL1PRKCAPRKCDEGFRBCR
SCHEMBL21531103 0.80 ACVR1 (0.71)
Phosphoric Acid SCHEMBL7471510 0.77 ABL1 (0.86) ABL1PRKCAPRKCDEGFRBCR
SCHEMBL7464205 0.77 ABL1 (0.76) ABL1PRKCAPRKCDEGFRBCR
SCHEMBL3868291 0.77 ABL1 (0.76) ABL1PRKCAPRKCDEGFRBCR
SCHEMBL7476133 0.77 ABL1 (0.76) ABL1PRKCAPRKCDEGFRBCR
SCHEMBL7461475 0.77 ABL1 (0.76) ABL1PRKCAPRKCDEGFRBCR

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-1483401-A1 METHOD FOR SELECTING DRUG SENSITIVITY-DETERMINING FACTORS AND METHOD FOR PREDICTING DRUG SENSITIVITY USING THE SELECTED FACTORS F.HOFFMANN-LA ROCHE AG (CH) 2004-12-08 EP disclosed
WO-2003076660-A1 METHOD FOR SELECTING DRUG SENSITIVITY-DETERMINING FACTORS AND METHOD FOR PREDICTING DRUG SENSITIVITY USING THE SELECTED FACTORS F.HOFFMANN-LA ROCHE AG (CH) 2003-09-18 WO disclosed