SCHEMBL30236557

SCHEMBL30236557

CNc1cc2ncc(-c3cc(N)cnc3C)cc2cn1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 9/20 0.46
▸ RAF1 P04049 7/20 0.37
▸ BRAF P15056 6/20 0.37
▸ KRAS P01116 4/20 0.37
▸ KDR P35968 4/20 0.37
▸ ARAF P10398 2/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ MAP2K2 P36507 2/20 0.33
▸ MAP2K1 Q02750 2/20 0.33
▸ NNMT P40261 1/20 0.33
▸ LCK P06239 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ EGFR P00533 1/20 0.31

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
SCHEMBL30236572 0.83 ABL1 (0.40) ABL1RAF1BRAFKRASKDR
SCHEMBL30236413 0.83 ABL1 (0.36) ABL1RAF1BRAFKRASKDR
SCHEMBL30236310 0.80 MAP4K1 (0.37) ABL1RAF1BRAFKRASKDR
SCHEMBL29272181 0.80 MAP4K1 (0.37) ABL1RAF1BRAFKRASKDR
SCHEMBL30237345 0.79 ABL1 (0.54) ABL1BRAFKDRNNMTLCK
SCHEMBL30236608 0.79 PDGFRB (0.39) ABL1RAF1BRAFKRASKDR
SCHEMBL29272099 0.79 PDGFRB (0.39) ABL1RAF1BRAFKRASKDR
SCHEMBL15289623 0.78 RAF1 (0.40) ABL1RAF1BRAFKRASKDR
SCHEMBL22652911 0.76 BRAF (0.43) ABL1RAF1BRAFKRASKDR
SCHEMBL30236419 0.76 ABL1 (0.41) ABL1RAF1BRAFKRASKDR

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-4399210-A1 6-AZA-QUINOLINE DERIVATIVES AND RELATED USES Black Diamond Therapeutics, Inc. (US) 2024-07-17 — — EP disclosed
CN-118159537-A 6-Aza-quinoline derivatives and related uses 黑钻治疗公司 2024-06-07 — — CN disclosed
WO-2023039505-A1 6-AZA-QUINOLINE DERIVATIVES AND RELATED USES BLACK DIAMOND THERAPEUTICS, INC. (US) 2023-03-16 — — WO disclosed
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