SCHEMBL20418151

SCHEMBL20418151

C[C@H]1CC2(CCN(c3ncc(Br)c4[nH]cnc34)CC2)CO1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.35
▸ AURKA O14965 1/20 0.35
▸ RPS6KA5 O75582 1/20 0.35
▸ CHEK2 O96017 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ LCK P06239 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ LYN P07948 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ MAPK3 P27361 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ AKT1 P31749 1/20 0.35
▸ AKT2 P31751 1/20 0.35
▸ CSNK1D P48730 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ PRKCZ Q05513 1/20 0.35
▸ RPS6KA1 Q15418 1/20 0.35
▸ MAPKAPK5 Q8IW41 1/20 0.35
▸ PRKD2 Q9BZL6 1/20 0.35
▸ PTK2B Q14289 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
SCHEMBL26042868 0.80 OPRK1 (0.31) OPRK1
SCHEMBL20418153 0.78 PTPN11 (0.45) PTPN11
SCHEMBL2400809 0.73 HRH4 (0.52) —
SCHEMBL24151104 0.71 PTPN11 (0.42) PTPN11
SCHEMBL24151077 0.71 PTPN11 (0.33) PTPN11
SCHEMBL20417887 0.71 PTPN11 (0.32) PTPN11MEN1KMT2A
SCHEMBL25367589 0.71 PTPN11 (0.33) PTPN11
SCHEMBL24151772 0.70 GPR119 (0.30) —
SCHEMBL21852008 0.69 PTPN11 (0.43) PTPN11
SCHEMBL21845365 0.69 OPRK1 (0.37) OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018136265-A1 BICYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. (US) 2018-07-26 — — WO disclosed
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