SCHEMBL19986848

SCHEMBL19986848

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(CCc4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 12/20 1.00
▸ MAP3K7 O43318 10/20 1.00
▸ MAP4K2 Q12851 10/20 1.00
▸ MAP3K20 Q9NYL2 8/20 1.00
▸ CSK P41240 5/20 1.00
▸ EPHA2 P29317 3/20 1.00
▸ DDR1 Q08345 1/20 0.79
▸ MAP4K4 O95819 2/20 0.79
▸ ABL1 P00519 2/20 0.79
▸ RAF1 P04049 2/20 0.79
▸ LYN P07948 2/20 0.79
▸ SRC P12931 2/20 0.79
▸ EPHB2 P29323 2/20 0.79
▸ ABL2 P42684 2/20 0.79
▸ EPHB4 P54760 2/20 0.79
▸ FES P07332 3/20 0.68
▸ FER P16591 3/20 0.68
▸ FLT3 P36888 1/20 0.68
▸ KMT2A Q03164 1/20 0.59
▸ ATM Q13315 1/20 0.59

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
SCHEMBL17515255 0.90 DDR1 (0.95) MAPK14MAP3K7MAP4K2MAP3K20CSK
SCHEMBL2284120 0.89 DDR1 (1.00) MAPK14MAP3K7MAP4K2MAP3K20CSK
SCHEMBL2284510 0.88 MAPK14 (1.00) MAPK14MAP3K7MAP4K2MAP3K20CSK
SCHEMBL2284518 0.88 MAPK14 (1.00) MAPK14MAP3K7MAP4K2MAP3K20CSK
SCHEMBL29725987 0.88 MAPK14 (1.00) MAPK14MAP3K7MAP4K2MAP3K20CSK
SCHEMBL14704592 0.88 MAPK14 (0.78) MAPK14MAP3K7MAP4K2MAP3K20CSK
SCHEMBL16786132 0.87 MAPK14 (0.95) MAPK14MAP3K7MAP4K2MAP3K20CSK
SCHEMBL12518526 0.86 DDR1 (0.82) MAPK14MAP3K7MAP4K2MAP3K20CSK
SCHEMBL30692242 0.86 DDR1 (0.82) MAPK14MAP3K7MAP4K2MAP3K20CSK
SCHEMBL17208613 0.86 MAP3K20 (0.81) MAPK14MAP3K7MAP4K2MAP3K20CSK

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
EP-2937345-B1 TYPE II RAF KINASE INHIBITORS DANA FARBER CANCER INST INC (US) 2018-03-21 — — EP disclosed
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