SCHEMBL14069748

SCHEMBL14069748

Cc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1Nc1nn(C)c2nc(NCCCCN(C)C)ncc12

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 4/20 0.47
▸ BRAF P15056 8/20 0.42
▸ LCK P06239 4/20 0.42
▸ LYN P07948 3/20 0.41
▸ SRC P12931 3/20 0.41
▸ KDR P35968 3/20 0.41
▸ INSR P06213 2/20 0.41
▸ HCK P08631 2/20 0.41
▸ SYK P43405 1/20 0.41
▸ MAPK14 Q16539 2/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL14069575 0.91 BTK (0.48) BTKBRAFLCKLYNSRC
SCHEMBL14070219 0.89 BTK (0.56) BTKBRAFLCKLYNSRC
SCHEMBL14070266 0.89 BTK (0.47) BTKBRAFLCKLYNSRC
SCHEMBL14070291 0.88 BTK (0.44) BTKBRAFLCKLYNSRC
SCHEMBL14070270 0.88 KDM4E (0.46) BTKBRAFLCKLYNSRC
SCHEMBL14070260 0.88 BTK (0.47) BTKBRAFLCKLYNSRC
SCHEMBL14069569 0.88 BRAF (0.53) BTKBRAFLCK
SCHEMBL14070217 0.87 BTK (0.44) BTKBRAFLCKLYNSRC
SCHEMBL14070292 0.87 BRAF (0.48) BTKBRAFLCKLYNSRC
SCHEMBL14069750 0.87 BTK (0.53) BTKBRAFLCKLYNSRC

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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