SCHEMBL4782897

SCHEMBL4782897

Cc1ncc(Nc2cc(N3CCCC3)cc(C(F)(F)F)c2)cc1-n1cc(C(=O)NCC(C)(C)C)nn1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DDT P30046 3/20 0.40
BRAF P15056 12/20 0.37
CAMK1D Q8IU85 2/20 0.36
RAF1 P04049 3/20 0.35
KLKB1 P03952 1/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34

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
SCHEMBL4781339 0.93 BRAF (0.43) DDTBRAFRAF1
SCHEMBL4779575 0.90 ACKR3 (0.34) DDTBRAFKLKB1
SCHEMBL4782901 0.90 BRAF (0.45) DDTBRAFRAF1
SCHEMBL4783530 0.90 ACKR3 (0.34) DDTBRAFKLKB1
SCHEMBL4781343 0.83 BRAF (0.53) BRAFRAF1
SCHEMBL4779581 0.82 MAPK14 (0.39) DDTBRAFRAF1
SCHEMBL4778554 0.78 DDT (0.42) DDT
SCHEMBL4730805 0.78 DDT (0.42) DDTBRAFRAF1
SCHEMBL4779207 0.77 NR1I2 (0.38) DDTKLKB1
SCHEMBL4780442 0.77 PLAU (0.38) BRAFRAF1

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