SCHEMBL19637394

SCHEMBL19637394

CCCc1c(C)nc(OCCN(C)C)nc1N(CC)CC

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ABCB11 O95342 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ SCN1A P35498 1/20 0.32
▸ SCN2A Q99250 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ SCN3A Q9NY46 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.31
▸ TLR7 Q9NYK1 1/20 0.31
▸ CRHR1 P34998 1/20 0.31
▸ HTR7 P34969 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
SCHEMBL22994841 0.80 KDM4E (0.38) CYP1A2CYP2D6TLR8TLR7
SCHEMBL25021649 0.75 PDE10A (0.30) —
SCHEMBL19637079 0.75 HTT (0.32) CYP1A2CYP2D6TLR8TLR7
SCHEMBL22994768 0.75 KDM4E (0.32) —
SCHEMBL19637432 0.72 KDM4E (0.36) TDP1TLR8
SCHEMBL19637369 0.71 HTT (0.35) CYP1A2
SCHEMBL19636917 0.64 HRH3 (0.42) —
SCHEMBL21912198 0.63 CRHR1 (0.34) CRHR1
SCHEMBL26670372 0.61 HTR7 (0.44) CYP1A2CYP2D6HTR7
SCHEMBL21912065 0.61 KDM4E (0.34) —

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 6 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-2020118066-A1 COMBINATION THERAPIES Mirati Therapeutics, Inc. (US) 2020-06-11 — — WO disclosed
WO-2020055756-A1 COMBINATION THERAPIES Mirati Therapeutics, Inc. (US) 2020-03-19 — — WO disclosed
WO-2020055755-A1 COMBINATION THERAPIES Mirati Therapeutics, Inc. (US) 2020-03-19 — — WO disclosed
WO-2020055760-A1 COMBINATION THERAPIES Mirati Therapeutics, Inc. (US) 2020-03-19 — — WO disclosed
WO-2017201161-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2017-11-23 — — WO disclosed
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