SCHEMBL20913077

SCHEMBL20913077

FC(F)(F)Oc1ccc(Nc2ncnc3nn(Cc4c[c]ccc4)cc23)cc1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 19/20 0.73
BCR P11274 19/20 0.73
TTBK1 Q5TCY1 1/20 0.44
TTBK2 Q6IQ55 1/20 0.44

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
SCHEMBL3400298 0.88 ABL1 (0.80) ABL1BCRTTBK1TTBK2
SCHEMBL3398664 0.84 ABL1 (1.00) ABL1BCRTTBK1TTBK2
SCHEMBL3400333 0.83 ABL1 (0.73) ABL1BCRTTBK1TTBK2
SCHEMBL13820275 0.83 ABL1 (0.73) ABL1BCRTTBK1TTBK2
SCHEMBL3400748 0.83 ABL1 (0.73) ABL1BCRTTBK1TTBK2
SCHEMBL3398606 0.81 ABL1 (0.76) ABL1BCRTTBK1TTBK2
SCHEMBL3396606 0.80 ABL1 (0.80) ABL1BCRTTBK1TTBK2
SCHEMBL19681282 0.80 ABL1 (0.84) ABL1BCRTTBK1TTBK2
SCHEMBL3396836 0.80 ABL1 (1.00) ABL1BCRTTBK1TTBK2
SCHEMBL3395255 0.79 ABL1 (0.66) ABL1BCRTTBK1TTBK2

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-3150593-B1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE DANA FARBER CANCER INST INC (US) 2019-04-24 EP claimed