SCHEMBL20569489

SCHEMBL20569489

CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ncnc5c4OCCN5)cc3)cc2C(F)(F)F)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.65
SRC P12931 6/20 0.65
MKNK2 Q9HBH9 6/20 0.65
RET P07949 5/20 0.65
KDR P35968 5/20 0.65
MKNK1 Q9BUB5 4/20 0.65
BCR P11274 3/20 0.65
FGFR1 P11362 3/20 0.65
CDK2 P24941 2/20 0.65
CDK8 P49336 2/20 0.65
MAP3K7 O43318 2/20 0.65
MAP4K2 Q12851 2/20 0.65
MAPK14 Q16539 2/20 0.65
MAP3K20 Q9NYL2 2/20 0.65
STK25 O00506 1/20 0.65
CIT O14578 1/20 0.65
MAP2K7 O14733 1/20 0.65
IKBKB O14920 1/20 0.65
AURKA O14965 1/20 0.65
GAK O14976 1/20 0.65

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
SCHEMBL20570128 0.93 MAP3K7 (0.57) ABL1SRCMKNK2RETKDR
SCHEMBL20569149 0.93 KDR (0.56) ABL1SRCMKNK2RETKDR
SCHEMBL20568621 0.92 KDR (0.63) ABL1SRCMKNK2RETKDR
SCHEMBL20568844 0.91 MAP3K7 (0.55) ABL1SRCMKNK2RETKDR
SCHEMBL20568192 0.91 RET (0.55) ABL1SRCMKNK2RETKDR
SCHEMBL20568582 0.91 MAP3K7 (0.55) ABL1SRCMKNK2RETKDR
SCHEMBL20569927 0.89 ABL1 (0.61) ABL1SRCMKNK2RETKDR
SCHEMBL20568652 0.89 MAP3K7 (0.51) ABL1SRCMKNK2RETKDR
SCHEMBL20569006 0.88 MAP3K7 (0.51) ABL1SRCMKNK2RETKDR
SCHEMBL20568285 0.88 MAP3K7 (0.62) ABL1SRCMKNK2RETKDR

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