SCHEMBL26953245

SCHEMBL26953245

NCc1ccc(-c2ccnc3[nH]cc(-c4cccc(F)c4)c23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.53
CDC7 O00311 1/20 0.53
ROCK2 O75116 1/20 0.53
MAP4K4 O95819 1/20 0.53
PIM1 P11309 1/20 0.53
PRKACA P17612 1/20 0.53
GSK3B P49841 1/20 0.53
HIPK2 Q9H2X6 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
IRAK4 Q9NWZ3 1/20 0.53
SGK1 O00141 1/20 0.51
TAAR1 Q96RJ0 1/20 0.50
LRRK2 Q5S007 9/20 0.49
FYN P06241 3/20 0.49
STK4 Q13043 1/20 0.49
STK3 Q13188 1/20 0.49
CCNT1 O60563 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK9 P50750 1/20 0.43
BRAF P15056 1/20 0.42

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
SCHEMBL31734958 1.00 CDK2 (0.53) CDK2CDC7ROCK2MAP4K4PIM1
SCHEMBL31735137 0.89 LRRK2 (0.45) CDK2CDC7ROCK2MAP4K4PIM1
SCHEMBL26953219 0.89 LRRK2 (0.45) CDK2CDC7ROCK2MAP4K4PIM1
SCHEMBL3768598 0.88 CDK2 (0.55) CDK2CDC7ROCK2MAP4K4PIM1
SCHEMBL31735012 0.87 SGK1 (0.57) CDK2CDC7ROCK2MAP4K4PIM1
SCHEMBL26953278 0.87 SGK1 (0.57) CDK2CDC7ROCK2MAP4K4PIM1
SCHEMBL26953145 0.86 LRRK2 (0.59) SGK1TAAR1LRRK2FYNSTK4
SCHEMBL31735005 0.86 LRRK2 (0.59) CDK2SGK1LRRK2STK4STK3
SCHEMBL26953170 0.86 LRRK2 (0.59) CDK2SGK1LRRK2STK4STK3
SCHEMBL31734890 0.86 LRRK2 (0.59) SGK1TAAR1LRRK2FYNSTK4

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-2023239727-A1 LATS INHIBITORS AND USES THEREOF THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2023-12-14 WO disclosed