SCHEMBL19904255

SCHEMBL19904255

O=C(O)c1cnc(N2CCOC2)c(-c2cncnc2)c1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 15/20 0.48
▸ POLB P06746 1/20 0.47
▸ AR P10275 2/20 0.42
▸ KCNH2 Q12809 4/20 0.41
▸ PIK3CA P42336 1/20 0.40

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
SCHEMBL20319886 0.79 POLB (0.54) ABL1POLBPIK3CA
SCHEMBL15391188 0.78 ABL1 (0.63) ABL1KCNH2
SCHEMBL16860273 0.78 ABL1 (0.63) ABL1KCNH2
SCHEMBL19904273 0.77 ABL1 (0.73) ABL1KCNH2
SCHEMBL19904280 0.75 ABL1 (0.73) ABL1KCNH2
SCHEMBL20319862 0.73 STK4 (0.53) ABL1POLBPIK3CA
SCHEMBL20319865 0.73 STK4 (0.53) POLBPIK3CA
SCHEMBL25705102 0.71 ABL1 (0.65) ABL1KCNH2
SCHEMBL3957333 0.70 POLB (0.59) POLBPIK3CA
SCHEMBL3947541 0.67 POLB (0.55) POLBPIK3CA

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
EP-2858988-B1 BENZAMIDE DERIVATIVES FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 NOVARTIS AG (CH) 2018-02-28 — — EP disclosed
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