SCHEMBL4782901

SCHEMBL4782901

Cc1ncc(NC(=O)c2cc(N3CCCC3)cc(C(F)(F)F)c2)cc1-n1cc(C(=O)NCC(C)(C)C)nn1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRAF P15056 13/20 0.45
RAF1 P04049 10/20 0.45
DDT P30046 3/20 0.41
TNK2 Q07912 2/20 0.39
MAP4K2 Q12851 2/20 0.39
CSF1R P07333 2/20 0.39

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
SCHEMBL4781343 0.93 BRAF (0.53) BRAFRAF1TNK2MAP4K2CSF1R
SCHEMBL4779581 0.91 MAPK14 (0.39) BRAFRAF1DDT
SCHEMBL4782897 0.90 DDT (0.40) BRAFRAF1DDT
SCHEMBL4730805 0.87 DDT (0.42) BRAFRAF1DDTCSF1R
SCHEMBL4726565 0.87 NR2E1 (0.49) BRAFRAF1TNK2MAP4K2CSF1R
SCHEMBL4728307 0.84 RAF1 (0.45) BRAFRAF1
SCHEMBL4727546 0.84 RAF1 (0.36) BRAFRAF1DDT
SCHEMBL4781339 0.83 BRAF (0.43) BRAFRAF1DDTTNK2MAP4K2
SCHEMBL4779575 0.82 ACKR3 (0.34) BRAFDDT
SCHEMBL4782241 0.81 RAF1 (0.44) 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