SCHEMBL20569261

SCHEMBL20569261

CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccnc5c4OCCCN5)cc3)cc2C(F)(F)F)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 8/20 0.60
SRC P12931 6/20 0.60
RET P07949 5/20 0.60
MKNK2 Q9HBH9 5/20 0.60
MKNK1 Q9BUB5 4/20 0.60
KDR P35968 4/20 0.60
MAPK14 Q16539 4/20 0.60
BCR P11274 3/20 0.60
RAF1 P04049 3/20 0.60
MAP3K7 O43318 3/20 0.60
MAP4K2 Q12851 3/20 0.60
MAP3K20 Q9NYL2 3/20 0.60
CDK2 P24941 2/20 0.60
CDK8 P49336 2/20 0.60
BRAF P15056 2/20 0.60
NTRK1 P04629 2/20 0.60
TEK Q02763 2/20 0.60
NTRK2 Q16620 2/20 0.60
MAP4K4 O95819 2/20 0.60
FES P07332 2/20 0.60

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
SCHEMBL20569927 0.96 ABL1 (0.61) ABL1SRCRETMKNK2MKNK1
SCHEMBL20568360 0.93 RET (0.54) ABL1SRCRETMKNK2MKNK1
SCHEMBL20569489 0.85 ABL1 (0.65) ABL1SRCRETMKNK2MKNK1
SCHEMBL20567852 0.83 RET (0.45) ABL1SRCRETMKNK2MKNK1
SCHEMBL20568757 0.82 RAB9A (0.50) ABL1SRCRETMKNK2MKNK1
SCHEMBL20568361 0.81 ABL1 (0.56) ABL1SRCRETMKNK2MKNK1
SCHEMBL20568677 0.81 ABL1 (0.59) ABL1SRCRETMKNK2MKNK1
SCHEMBL20569643 0.81 MAPK14 (0.71) ABL1SRCMAPK14RAF1MAP3K7
SCHEMBL20568310 0.81 MAPK14 (0.61) ABL1SRCMAPK14RAF1MAP3K7
SCHEMBL20568844 0.79 MAP3K7 (0.55) ABL1SRCRETMKNK2MKNK1

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