SCHEMBL20569067

SCHEMBL20569067

Brc1ccnc2c1OCCCN2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 3/20 0.34
MAPK13 O15264 1/20 0.32
MAP3K7 O43318 1/20 0.32
CCNT1 O60563 1/20 0.32
RAF1 P04049 1/20 0.32
NTRK1 P04629 1/20 0.32
CSF1R P07333 1/20 0.32
LYN P07948 1/20 0.32
HCK P08631 1/20 0.32
PDGFRB P09619 1/20 0.32
KIT P10721 1/20 0.32
FGFR1 P11362 1/20 0.32
CDK4 P11802 1/20 0.32
BRAF P15056 1/20 0.32
PDGFRA P16234 1/20 0.32
FLT1 P17948 1/20 0.32
EPHA2 P29317 1/20 0.32
EPHA3 P29320 1/20 0.32
EPHB2 P29323 1/20 0.32
CCND3 P30281 1/20 0.32

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
SCHEMBL19932703 0.89 RET (0.41) RETPRKCI
SCHEMBL4467397 0.70 ADRA2A (0.35)
SCHEMBL23089693 0.69 UHRF1 (0.41) EPHA2KDRPRKCI
SCHEMBL17766364 0.69 PDE3B (0.36) RETNTRK1CSF1RPDGFRBFGFR1
SCHEMBL30507904 0.68 PRKCI (0.31) PRKCI
SCHEMBL3584083 0.68 PRKCI (0.31) PRKCI
SCHEMBL17230357 0.68 RET (0.39) RET
SCHEMBL21187103 0.68 RET (0.40) RET
SCHEMBL2848871 0.68 GRM5 (0.41) FLT3MERTK
SCHEMBL25263347 0.67 PARP1 (0.30)

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 disclosed
EP-3630778-A1 NOVEL INHIBITORS OF MAP4K1 Ichnos Sciences SA (CH) 2020-04-08 EP disclosed
WO-2018215668-A1 NOVEL INHIBITORS OF MAP4K1 GLENMARK PHARMACEUTICALS S.A. (CH) 2018-11-29 WO disclosed