SCHEMBL27094352

SCHEMBL27094352

CC(C)(C)OC(=O)N1CCN(c2c([N+](=O)[O-])cnc3c(F)c(Br)ncc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
KCNH2 Q12809 2/20 0.45
MET P08581 2/20 0.42
GPR119 Q8TDV5 5/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
CKS1B P61024 2/20 0.38
SKP1 P63208 2/20 0.38
SKP2 Q13309 2/20 0.38
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
MAP4K4 O95819 1/20 0.37
GPR174 Q9BXC1 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
SCHEMBL30998001 1.00 MAPT (0.46) MAPTALDH1A1LMNAKCNH2MET
SCHEMBL21136735 0.85 KCNH2 (0.47) MAPTALDH1A1LMNAKCNH2MET
SCHEMBL27094365 0.85 MAP4K4 (0.42) MAPTALDH1A1LMNAKCNH2GPR119
SCHEMBL27094367 0.85 ABL1 (0.38) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL29889650 0.80 UCHL1 (0.33) MAPTALDH1A1LMNAKCNH2MET
SCHEMBL21136775 0.77 MET (0.47) MAPTALDH1A1LMNAKCNH2MET
SCHEMBL21136848 0.74 MET (0.47) MAPTALDH1A1LMNAKCNH2MET
SCHEMBL29153252 0.73 PRKCQ (0.36) MAPTALDH1A1LMNAMETGPR119
SCHEMBL15770114 0.73 ALDH1A1 (0.53) MAPTALDH1A1LMNAKCNH2MET
SCHEMBL21137338 0.73 KCNH2 (0.38) MAPTALDH1A1LMNAKCNH2MET

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-4322945-A2 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2024-02-21 EP disclosed
WO-2022221528-A2 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2022-10-20 WO disclosed