SCHEMBL19616667

SCHEMBL19616667

C[C@H]1c2nc(OCCN(C)C)nc(N3CCN(C(=O)OC(C)(C)C)CC3)c2CCN1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 3/20 0.43
TLR7 Q9NYK1 2/20 0.43
KRAS P01116 3/20 0.42
ACHE P22303 1/20 0.41
CKS1B P61024 2/20 0.39
SKP1 P63208 2/20 0.39
SKP2 Q13309 2/20 0.39
PDE10A Q9Y233 1/20 0.38
SCD O00767 1/20 0.38
SCD5 Q86SK9 1/20 0.38
BCHE P06276 1/20 0.38
HTR6 P50406 1/20 0.38
KIT P10721 1/20 0.37
GBA1 P04062 2/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
GPR119 Q8TDV5 2/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 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
SCHEMBL19948723 1.00 TLR9 (0.43) TLR9TLR7KRASACHECKS1B
SCHEMBL19948464 0.85 KRAS (0.45) TLR9TLR7KRASACHECKS1B
SCHEMBL19948975 0.85 KRAS (0.38) KRAS
SCHEMBL19616964 0.85 KRAS (0.45) TLR9TLR7KRASACHECKS1B
SCHEMBL19948152 0.84 ACHE (0.44) TLR9TLR7ACHECKS1BSKP1
SCHEMBL19616976 0.84 ACHE (0.44) TLR9TLR7ACHECKS1BSKP1
SCHEMBL19948546 0.81 KRAS (0.49) TLR9TLR7KRASACHEKIT
SCHEMBL19617095 0.81 KRAS (0.49) TLR9TLR7KRASACHEKIT
SCHEMBL19948175 0.80 KRAS (0.60) TLR9TLR7KRASACHEPDE10A
SCHEMBL19616813 0.80 KRAS (0.60) TLR9TLR7KRASACHEPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3710439-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2020-09-23 EP disclosed
EP-3458445-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2019-03-27 EP disclosed
WO-2017201161-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2017-11-23 WO disclosed