SCHEMBL21786285

SCHEMBL21786285

CC(C)(C)OC(=O)N1CCN(c2ncnc3c2CCCNC3)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.48
MAP4K4 O95819 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
CKS1B P61024 2/20 0.39
SKP1 P63208 2/20 0.39
SKP2 Q13309 2/20 0.39
SPR P35270 1/20 0.38
GPR119 Q8TDV5 6/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
RET P07949 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
SMARCA2 P51531 1/20 0.37
SMARCA4 P51532 1/20 0.37
PBRM1 Q86U86 1/20 0.37

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
SCHEMBL29697503 0.94 KIT (0.49) KITMAP4K4CNR1CNR2CKS1B
SCHEMBL30333389 0.87 KIT (0.49) KITMAP4K4CNR1CNR2CKS1B
SCHEMBL31029604 0.87 KIT (0.49) KITMAP4K4CNR1CNR2CKS1B
SCHEMBL2796064 0.83 KIT (0.49) KITMAP4K4CNR1CNR2CKS1B
SCHEMBL19616882 0.80 KIT (0.48) KITMAP4K4CNR1CNR2CKS1B
SCHEMBL21243934 0.79 KIT (0.48) KITMAP4K4CNR1CNR2CKS1B
SCHEMBL30547305 0.79 PARP1 (0.39)
SCHEMBL23686777 0.78 JAK3 (0.37) KITGPR119RET
SCHEMBL23075010 0.77 KRAS (0.48)
SCHEMBL2572791 0.77 AKT1 (0.50) KITMAP4K4CNR1CNR2CKS1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3844151-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-08-23 EP disclosed
WO-2020047192-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2020-03-05 WO disclosed