SCHEMBL18696314

SCHEMBL18696314

N=Cc1c(NCc2ccncc2)ncnc1Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 10/20 0.52
▸ BCR P11274 10/20 0.52
▸ KDR P35968 6/20 0.51
▸ FLT1 P17948 5/20 0.50
▸ TTBK1 Q5TCY1 1/20 0.45
▸ TTBK2 Q6IQ55 1/20 0.45
▸ NAMPT P43490 2/20 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
SCHEMBL18696347 0.90 ABL1 (0.52) ABL1BCRKDRTTBK1TTBK2
SCHEMBL18696284 0.88 ABL1 (0.56) ABL1BCRKDRTTBK1TTBK2
SCHEMBL18696327 0.83 ABL1 (0.44) ABL1BCRTTBK1TTBK2
SCHEMBL18696264 0.83 TTBK1 (0.49) ABL1BCRTTBK1TTBK2
SCHEMBL18696189 0.83 ABL1 (0.51) ABL1BCRTTBK1TTBK2
SCHEMBL18696239 0.83 ABL1 (0.42) ABL1BCRTTBK1TTBK2
SCHEMBL18696353 0.83 AURKA (0.44) ABL1BCRTTBK1TTBK2
SCHEMBL18696266 0.83 ABL1 (0.43) ABL1BCRTTBK1TTBK2
SCHEMBL18696318 0.81 TTBK1 (0.50) ABL1BCRTTBK1TTBK2
SCHEMBL18696319 0.81 ABL1 (0.50) 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 4 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-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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