SCHEMBL19637398

SCHEMBL19637398

CCc1c(C)nc(OCCN2CCC(OC)C2)nc1N(CC)CC

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CSF1R P07333 2/20 0.32
▸ LMNA P02545 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ TLR7 Q9NYK1 2/20 0.30

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
SCHEMBL21895574 0.74 KRAS (0.39) —
SCHEMBL19637079 0.71 HTT (0.32) HPGDTLR7
SCHEMBL21895629 0.69 KRAS (0.38) —
SCHEMBL19637432 0.68 KDM4E (0.36) —
SCHEMBL21230439 0.64 GBA1 (0.39) —
SCHEMBL25668002 0.64 GBA1 (0.39) —
SCHEMBL13193523 0.64 GBA1 (0.39) —
SCHEMBL12912378 0.63 CYP2D6 (0.48) TLR7
SCHEMBL19637255 0.63 HTT (0.34) HPGD
SCHEMBL15133969 0.62 DRD2 (0.41) —

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-3458445-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2021-02-17 — — EP disclosed
WO-2017201161-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2017-11-23 — — WO disclosed
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