SCHEMBL14070262

SCHEMBL14070262

Cc1ccc(NC(=O)c2cc(C(C)(C)C)nn2C)cc1Nc1nn(C)c2nc(NCCCCN(C)C)ncc12

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 12/20 0.59
▸ BTK Q06187 4/20 0.46
▸ LCK P06239 3/20 0.44
▸ INSR P06213 2/20 0.44
▸ LYN P07948 2/20 0.44
▸ HCK P08631 2/20 0.44
▸ SRC P12931 2/20 0.44
▸ KDR P35968 2/20 0.44
▸ TNK2 Q07912 1/20 0.38

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
SCHEMBL14070292 0.92 BRAF (0.48) BRAFBTKLCKINSRLYN
SCHEMBL14070075 0.89 BTK (0.49) BRAFBTKLCKINSRLYN
SCHEMBL14070276 0.86 BRAF (0.44) BRAFBTKLCKINSRLYN
SCHEMBL14070199 0.86 BRAF (0.44) BRAFBTKLCKINSRLYN
SCHEMBL14070219 0.86 BTK (0.56) BRAFBTKLCKINSRLYN
SCHEMBL14070270 0.85 KDM4E (0.46) BRAFBTKLCKINSRLYN
SCHEMBL14069748 0.85 BTK (0.47) BRAFBTKLCKINSRLYN
SCHEMBL14069575 0.85 BTK (0.48) BRAFBTKLCKINSRLYN
SCHEMBL14070291 0.85 BTK (0.44) BRAFBTKLCKINSRLYN
SCHEMBL14070217 0.85 BTK (0.44) BRAFBTKLCKINSRLYN

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
WO-2008112695-A2 PYRAZOLO [3,4-D] PYRIMIDINES AND 1, 2, 5, 6-TETRAAZA- AS- INDACENES AS PROTEIN KINASE INHIBITORS FOR CANCER TREATMENT IRM LLC (BM) 2008-09-18 — — WO disclosed
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