SCHEMBL14069849

SCHEMBL14069849

CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nn(C)c5nc(N)ncc45)c3)cc2C(F)(F)F)CC1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.61
▸ BRAF P15056 1/20 0.61
▸ BTK Q06187 4/20 0.60
▸ NR2C2 P49116 3/20 0.60
▸ MAPK1 P28482 1/20 0.59
▸ HTT P42858 1/20 0.59
▸ ATM Q13315 1/20 0.59
▸ DDR1 Q08345 1/20 0.57
▸ KIT P10721 1/20 0.57
▸ HCK P08631 2/20 0.56
▸ GCK P35557 1/20 0.56

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
SCHEMBL14069850 0.93 KIT (0.61) EGFRBRAFBTKKIT
SCHEMBL14070274 0.84 BRAF (0.57) BRAFBTK
SCHEMBL14069584 0.84 LYN (0.59) BRAFBTKHCK
SCHEMBL4699786 0.80 BRAF (0.63) EGFRBRAFKIT
SCHEMBL4879660 0.80 EGFR (0.58) EGFRBRAFBTKNR2C2MAPK1
SCHEMBL14069588 0.79 BTK (0.67) EGFRBRAFBTKMAPK1ATM
SCHEMBL2280193 0.79 RAD52 (0.75) EGFRBRAFBTKNR2C2MAPK1
SCHEMBL2226481 0.78 HTT (0.68) EGFRBRAFBTKNR2C2MAPK1
SCHEMBL14069589 0.78 BRAF (0.54) BRAFBTKHCK
SCHEMBL14070288 0.77 BTK (0.55) EGFRBRAFBTKMAPK1ATM

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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