SCHEMBL24535667

SCHEMBL24535667

COc1nc(OCC(F)(F)F)c2cnc(Cl)c(F)c2n1

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SGK1 O00141 2/20 0.31
▸ RORC P51449 3/20 0.31
▸ MKNK1 Q9BUB5 1/20 0.31
▸ MKNK2 Q9HBH9 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ METAP2 P50579 1/20 0.31
▸ SCN9A Q15858 1/20 0.30
▸ PTGS1 P23219 1/20 0.30
▸ PTGS2 P35354 1/20 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
SCHEMBL26598099 0.85 CYP1A2 (0.36) CYP1A2
SCHEMBL23043112 0.84 SGK1 (0.33) SGK1CNR2
SCHEMBL24536822 0.79 KRAS (0.36) —
SCHEMBL29679962 0.79 KRAS (0.36) —
SCHEMBL31691592 0.77 KRAS (0.47) —
SCHEMBL30922767 0.77 KRAS (0.47) —
SCHEMBL26629565 0.77 MEN1 (0.44) SCN9A
SCHEMBL23043428 0.76 KRAS (0.48) —
SCHEMBL30706977 0.75 KRAS (0.35) —
SCHEMBL24536776 0.75 KRAS (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022132200-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2022-06-23 — — WO disclosed
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