SCHEMBL14070061

SCHEMBL14070061

Cc1ccc(NC(=O)c2ccc(C(C)(C)C)s2)cc1Nc1nn(C)c2nc(N)ncc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 5/20 0.52
▸ INSR P06213 2/20 0.52
▸ LCK P06239 2/20 0.52
▸ LYN P07948 2/20 0.52
▸ HCK P08631 2/20 0.52
▸ SRC P12931 2/20 0.52
▸ BTK Q06187 4/20 0.43
▸ HDAC3 O15379 3/20 0.42
▸ ABL1 P00519 3/20 0.42
▸ PDGFRB P09619 3/20 0.42
▸ HDAC4 P56524 3/20 0.42
▸ HDAC1 Q13547 3/20 0.42
▸ HDAC7 Q8WUI4 3/20 0.42
▸ HDAC2 Q92769 3/20 0.42
▸ HDAC10 Q969S8 3/20 0.42
▸ HDAC11 Q96DB2 3/20 0.42
▸ HDAC8 Q9BY41 3/20 0.42
▸ HDAC6 Q9UBN7 3/20 0.42
▸ HDAC9 Q9UKV0 3/20 0.42
▸ HDAC5 Q9UQL6 3/20 0.42

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
SCHEMBL14070199 0.82 BRAF (0.44) KDRINSRLCKLYNHCK
SCHEMBL14070059 0.82 BTK (0.49) KDRINSRLCKLYNHCK
SCHEMBL14069739 0.81 BTK (0.44) BTK
SCHEMBL14070272 0.79 BTK (0.54) KDRINSRLCKLYNHCK
SCHEMBL14070274 0.78 BRAF (0.57) BTKBRAFCSF1R
SCHEMBL14070273 0.78 BTK (0.52) KDRINSRLCKLYNHCK
SCHEMBL14069588 0.78 BTK (0.67) KDRINSRLCKLYNHCK
SCHEMBL14070288 0.77 BTK (0.55) KDRINSRLCKLYNHCK
SCHEMBL14070268 0.77 BTK (0.51) KDRINSRLCKLYNSRC
SCHEMBL4788804 0.73 BTK (0.40) BTKABL1

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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