SCHEMBL4726565

SCHEMBL4726565

Cc1cn(-c2cc(C(=O)Nc3cnc(C)c(-n4cc(C(=O)NCC(C)(C)C)nn4)c3)cc(C(F)(F)F)c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 6/20 0.49
CSF1R P07333 1/20 0.48
ABL1 P00519 6/20 0.47
BCR P11274 5/20 0.47
BRAF P15056 4/20 0.47
RAF1 P04049 3/20 0.47
TNK2 Q07912 1/20 0.47
MAP4K2 Q12851 1/20 0.47
MAPT P10636 1/20 0.45
EGFR P00533 1/20 0.45
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
YES1 P07947 1/20 0.45
LYN P07948 1/20 0.45
HCK P08631 1/20 0.45
SRC P12931 1/20 0.45
PDGFRA P16234 1/20 0.45
FRK P42685 1/20 0.45
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL4782901 0.87 BRAF (0.45) CSF1RBRAFRAF1TNK2MAP4K2
SCHEMBL4730805 0.87 DDT (0.42) CSF1RBRAFRAF1LCK
SCHEMBL4781343 0.85 BRAF (0.53) CSF1RBRAFRAF1TNK2MAP4K2
SCHEMBL4778561 0.78 DDT (0.45)
SCHEMBL4779581 0.78 MAPK14 (0.39) BRAFRAF1
SCHEMBL4779210 0.78 TEK (0.41) BRAFRAF1
SCHEMBL4782897 0.77 DDT (0.40) ABL1BCRBRAFRAF1
SCHEMBL4784000 0.77 DDT (0.34) BRAFRAF1MAPT
SCHEMBL4782663 0.76 MAPK14 (0.38) FRK
SCHEMBL4727546 0.76 RAF1 (0.36) 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 2 patents. 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
WO-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed