SCHEMBL26953079

SCHEMBL26953079

Cc1cc(-c2ccnc3[nH]cc(F)c23)ncc1CN

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 6/20 0.38
▸ AAK1 Q2M2I8 2/20 0.37
▸ CCNK O75909 1/20 0.36
▸ CDK12 Q9NYV4 1/20 0.36
▸ ROCK2 O75116 3/20 0.34
▸ LOXL2 Q9Y4K0 1/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ CYP3A4 P08684 4/20 0.34
▸ JAK2 O60674 3/20 0.33
▸ CYP2C8 P10632 2/20 0.33
▸ TGFBR1 P36897 2/20 0.33
▸ CDK2 P24941 2/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ CCNA1 P78396 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ CDC7 O00311 1/20 0.32
▸ CHEK1 O14757 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
SCHEMBL31734939 1.00 LRRK2 (0.38) LRRK2AAK1CCNKCDK12ROCK2
SCHEMBL31734963 0.81 LRRK2 (0.54) LRRK2ROCK2CDK2CDK9CDK5
SCHEMBL26953050 0.81 LRRK2 (0.54) LRRK2ROCK2CDK2CDK9CDK5
SCHEMBL26953081 0.78 PRKCI (0.48) LRRK2CCNKCDK12JAK2CDK9
SCHEMBL31734994 0.78 PRKCI (0.48) LRRK2CCNKCDK12JAK2CDK9
SCHEMBL26953119 0.76 LRRK2 (0.42) LRRK2CCNKCDK12ROCK2TRPA1
SCHEMBL14907823 0.74 LOXL2 (0.47) LRRK2ROCK2LOXL2TRPA1JAK2
SCHEMBL26953435 0.70 SGK1 (0.44) LRRK2ROCK2LOXL2JAK2CDK2
SCHEMBL31734984 0.70 SGK1 (0.44) LRRK2ROCK2LOXL2JAK2CDK2
SCHEMBL31734915 0.69 HTR2A (0.34) CCNKCDK12ROCK2JAK2CCNT1

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
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