SCHEMBL16130910

SCHEMBL16130910

COc1cc(C(=O)NC2CCN(C)CC2OC)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 20/20 1.00

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
SCHEMBL12135651 1.00 PTK2 (1.00) PTK2
SCHEMBL12135683 1.00 PTK2 (1.00) PTK2
SCHEMBL18949824 1.00 PTK2 (1.00) PTK2
SCHEMBL12135384 1.00 PTK2 (1.00) PTK2
SCHEMBL23939817 0.94 PTK2 (1.00) PTK2
SCHEMBL12135714 0.94 PTK2 (1.00) PTK2
SCHEMBL12135684 0.94 PTK2 (1.00) PTK2
SCHEMBL12135022 0.94 PTK2 (1.00) PTK2
SCHEMBL12135202 0.94 PTK2 (1.00) PTK2
SCHEMBL13354971 0.94 PTK2 (1.00) PTK2

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
US-8846689-B2 Substituted pyrimidines for the treatment of diseases such as cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-30 — — US disclosed
US-8846689-B2 Substituted pyrimidines for the treatment of diseases such as cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-30 — — US disclosed
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