SCHEMBL22220100

SCHEMBL22220100

Cc1ncc(C#N)c(N)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
KDM4E B2RXH2 4/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HPGD P15428 1/20 0.35
MBOAT4 Q96T53 6/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KHK P50053 1/20 0.33
MEN1 O00255 1/20 0.33
ABL1 P00519 1/20 0.33
KDR P35968 1/20 0.33
EGLN2 Q96KS0 1/20 0.33

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
SCHEMBL29588691 0.78 CSNK1A1 (0.40) CSNK1A1CLK4KDM4ENPC1RAB9A
SCHEMBL5030532 0.78 CSNK1A1 (0.40) CSNK1A1CLK4KDM4ENPC1RAB9A
SCHEMBL31409720 0.77 KDM4E (0.40) CSNK1A1CLK4KDM4ENPC1RAB9A
SCHEMBL22208091 0.77 CSNK1A1 (0.47) CSNK1A1CLK4KDM4ENPC1RAB9A
SCHEMBL30248919 0.77 CSNK1A1 (0.47) CSNK1A1CLK4KDM4ENPC1RAB9A
SCHEMBL11309729 0.74 CSNK1A1 (0.40) CSNK1A1CLK4KDM4ENPC1RAB9A
SCHEMBL13257627 0.74 SRC (0.40) KDM4E
SCHEMBL26324937 0.72 KDM5A (0.43) CSNK1A1CLK4KDM4EKMT2AALDH1A1
SCHEMBL5482012 0.70 KDM4E (0.58) KDM4ENPC1RAB9AKMT2AALDH1A1
SCHEMBL19009020 0.69 TSHR (0.39) CSNK1A1CLK4KDM4ENPC1RAB9A

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-2020146613-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2020-07-16 WO disclosed