SCHEMBL4782091

SCHEMBL4782091

Cc1nc(-c2cc(Nc3cnc(C)c(-n4cc(C(=O)NCC(C)(C)C)nn4)c3)cc(C(C)(C)C)c2)no1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRAF P15056 9/20 0.32
HTR1D P28221 1/20 0.31
SLC6A4 P31645 1/20 0.31
DDT P30046 2/20 0.31
MAPT P10636 1/20 0.31
BTK Q06187 1/20 0.30
TP53 P04637 1/20 0.30
PLK1 P53350 1/20 0.30

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
SCHEMBL4782092 0.92 BRAF (0.34) BRAFHTR1DSLC6A4DDTMAPT
SCHEMBL4778554 0.83 DDT (0.42) DDT
SCHEMBL4779207 0.81 NR1I2 (0.38) DDT
SCHEMBL4783994 0.80 EGFR (0.33) DDT
SCHEMBL4780120 0.79 DDR1 (0.35) BRAF
SCHEMBL4779088 0.78 DDR2 (0.38) BRAF
SCHEMBL4778561 0.75 DDT (0.45) DDTTP53
SCHEMBL4783774 0.75 NR1I2 (0.36)
SCHEMBL4779210 0.75 TEK (0.41) BRAFDDT
SCHEMBL4779766 0.74 NR1I2 (0.41)

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-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed