SCHEMBL14693594

SCHEMBL14693594

C=CC(=O)N(C)c1cccc(-n2nc(-c3ccc(Cl)cc3)c3c(N)cncc32)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 7/20 0.36
▸ EGFR P00533 2/20 0.36
▸ HDAC1 Q13547 6/20 0.35
▸ BTK Q06187 3/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ FGFR4 P22455 1/20 0.34
▸ ABL1 P00519 2/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HCK P08631 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ HDAC5 Q9UQL6 1/20 0.34
▸ KMT2A Q03164 1/20 0.33
▸ LCK P06239 1/20 0.33

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
SCHEMBL14693524 0.82 SRC (0.58) SRCEGFRHDAC1BTKJAK3
SCHEMBL14693570 0.71 SRC (0.54) SRCEGFRHDAC1BTKABL1
SCHEMBL14693569 0.71 SRC (0.54) SRCEGFRHDAC1BTKABL1
SCHEMBL14706394 0.68 SRC (0.46) SRCEGFRBTKJAK3ABL1
SCHEMBL14693536 0.68 SRC (0.50) SRCEGFRHDAC1BTKABL1
SCHEMBL14693535 0.68 SRC (0.50) SRCEGFRHDAC1BTKABL1
SCHEMBL14693476 0.67 JAK3 (0.39) SRCEGFRBTKJAK3LCK
SCHEMBL15165325 0.66 JAK3 (0.35) SRCEGFRBTKJAK3FGFR4
SCHEMBL7779064 0.65 HTR3E (0.54) BTKFGFR4KMT2ABCL2A1
SCHEMBL15143859 0.64 BTK (0.59) SRCEGFRBTKJAK3HCK

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
US-8377946-B1 Pyrazolo[3,4-d]pyrimidine and pyrrolo[2,3-d]pyrimidine compounds as kinase inhibitors PHARMACYCLICS, INC. (US) 2013-02-19 — — US disclosed
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