SCHEMBL20568115

SCHEMBL20568115

Cc1ccc(C(=O)Nc2cc(N3CC[C@@H](N(C)C)C3)cc(C(F)(F)F)c2)cc1Oc1ncnc2c1OCCN2

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP4K2 Q12851 4/20 0.54
MAP3K7 O43318 3/20 0.54
CSF1R P07333 3/20 0.48
BRAF P15056 10/20 0.47
KDR P35968 2/20 0.47
KIT P10721 2/20 0.45
LDLR P01130 1/20 0.45
PCSK9 Q8NBP7 1/20 0.45
ABL1 P00519 1/20 0.42
SRC P12931 1/20 0.42
TEK Q02763 1/20 0.41
LYN P07948 1/20 0.40

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
SCHEMBL20568117 1.00 MAP4K2 (0.54) MAP4K2MAP3K7CSF1RBRAFKDR
SCHEMBL20569168 0.93 BRAF (0.46) MAP4K2MAP3K7CSF1RBRAFKDR
SCHEMBL20569396 0.93 BRAF (0.46) MAP4K2MAP3K7CSF1RBRAFKDR
SCHEMBL20569165 0.93 BRAF (0.46) MAP4K2MAP3K7CSF1RBRAFKDR
SCHEMBL20568529 0.92 MAP4K2 (0.49) MAP4K2MAP3K7CSF1RBRAFKDR
SCHEMBL20568526 0.92 MAP4K2 (0.49) MAP4K2MAP3K7CSF1RBRAFKDR
SCHEMBL20569386 0.89 MAP4K2 (0.48) MAP4K2MAP3K7CSF1RBRAFKDR
SCHEMBL20568682 0.89 MAP4K2 (0.60) MAP4K2MAP3K7CSF1RBRAFKIT
SCHEMBL20568408 0.88 MAP4K2 (0.69) MAP4K2MAP3K7CSF1RBRAFKIT
SCHEMBL20569391 0.87 MAP4K2 (0.46) MAP4K2MAP3K7CSF1RBRAFKDR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112601752-A Novel inhibitors of MAP4K1 伊克诺斯科学公司 2021-04-02 CN claimed
EP-3630778-A1 NOVEL INHIBITORS OF MAP4K1 Ichnos Sciences SA (CH) 2020-04-08 EP claimed
WO-2018215668-A1 NOVEL INHIBITORS OF MAP4K1 GLENMARK PHARMACEUTICALS S.A. (CH) 2018-11-29 WO claimed