SCHEMBL20568682

SCHEMBL20568682

Cc1ccc(C(=O)Nc2cc(N3CCOCC3)cc(C(F)(F)F)c2)cc1Oc1ncnc2c1OCCN2

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP4K2 Q12851 3/20 0.60
MAP3K7 O43318 2/20 0.60
CSF1R P07333 1/20 0.54
BRAF P15056 12/20 0.52
ABL1 P00519 2/20 0.49
SRC P12931 1/20 0.49
BCR P11274 1/20 0.49
RAF1 P04049 3/20 0.49
LDLR P01130 1/20 0.49
KIT P10721 1/20 0.49
PCSK9 Q8NBP7 1/20 0.49

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
SCHEMBL20568408 0.94 MAP4K2 (0.69) MAP4K2MAP3K7CSF1RBRAFABL1
SCHEMBL20568121 0.92 MAP4K2 (0.51) MAP4K2MAP3K7CSF1RBRAFABL1
SCHEMBL20568615 0.92 MAP4K2 (0.59) MAP4K2MAP3K7CSF1RBRAFABL1
SCHEMBL20568100 0.92 MAP4K2 (0.59) MAP4K2MAP3K7BRAFRAF1LDLR
SCHEMBL20568959 0.91 MAP4K2 (0.55) MAP4K2MAP3K7CSF1RBRAFABL1
SCHEMBL20568445 0.91 MAP4K2 (0.60) MAP4K2MAP3K7CSF1RBRAFLDLR
SCHEMBL20570016 0.89 MAP4K2 (0.56) MAP4K2MAP3K7CSF1RBRAFABL1
SCHEMBL20568117 0.89 MAP4K2 (0.54) MAP4K2MAP3K7CSF1RBRAFABL1
SCHEMBL20568115 0.89 MAP4K2 (0.54) MAP4K2MAP3K7CSF1RBRAFABL1
SCHEMBL20568744 0.88 MAP4K2 (0.67) MAP4K2MAP3K7BRAFABL1BCR

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