SCHEMBL18696212

SCHEMBL18696212

OCC1CCC(n2ccc3c(Nc4ccc(OC(F)(F)F)cc4)ncnc32)O1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 19/20 0.57
▸ BCR P11274 19/20 0.57
▸ ADK P55263 1/20 0.46

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
SCHEMBL18696325 0.85 ADORA1 (0.51) ABL1BCR
SCHEMBL23637142 0.85 ADORA1 (0.51) ABL1BCR
SCHEMBL20925483 0.84 ABL1 (0.55) ABL1BCRADK
SCHEMBL3397073 0.80 ADK (0.73) ABL1BCRADK
SCHEMBL20925355 0.80 ADK (0.73) ABL1BCRADK
SCHEMBL13821121 0.80 ADK (0.73) ABL1BCRADK
SCHEMBL19681258 0.80 ADK (0.73) ABL1BCRADK
SCHEMBL16609159 0.80 ADK (0.73) ABL1BCRADK
SCHEMBL22524104 0.78 PRMT5 (0.48) ABL1ADK
SCHEMBL13467412 0.77 NR2F2 (0.55) ABL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3912973-A2 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE Dana-Farber Cancer Institute, Inc. (US) 2021-11-24 — — EP disclosed
EP-3536687-B1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE DANA FARBER CANCER INST INC (US) 2021-07-14 — — EP disclosed
EP-3536687-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE Dana Farber Cancer Institute, Inc. (US) 2019-09-11 — — EP disclosed
EP-3150593-B1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE DANA FARBER CANCER INST INC (US) 2019-04-24 — — EP disclosed
EP-3150593-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE Dana Farber Cancer Institute, Inc. (US) 2017-04-05 — — EP disclosed
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