SCHEMBL30236458

SCHEMBL30236458

CNc1cc2ncc(-c3cc(NC(=N)c4cc(C(F)(F)F)ccn4)ccc3C)cc2cn1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 8/20 0.48
▸ MAPK14 Q16539 8/20 0.48
▸ LCK P06239 7/20 0.48
▸ JAK3 P52333 6/20 0.48
▸ BRAF P15056 6/20 0.47
▸ MAPK13 O15264 1/20 0.47
▸ MAPK12 P53778 1/20 0.47
▸ MAPK11 Q15759 1/20 0.47
▸ RAF1 P04049 10/20 0.46
▸ TEK Q02763 4/20 0.45
▸ ABL1 P00519 2/20 0.43
▸ KRAS P01116 1/20 0.42

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
SCHEMBL30236907 0.90 BRAF (0.46) KDRMAPK14LCKJAK3BRAF
SCHEMBL30236502 0.89 BRAF (0.60) KDRMAPK14LCKJAK3BRAF
SCHEMBL29272241 0.89 BRAF (0.60) KDRMAPK14LCKJAK3BRAF
SCHEMBL30236523 0.83 RAF1 (0.58) KDRMAPK14LCKJAK3BRAF
SCHEMBL29272354 0.83 RAF1 (0.58) KDRMAPK14LCKJAK3BRAF
SCHEMBL30236478 0.83 RAF1 (0.58) KDRMAPK14LCKJAK3BRAF
SCHEMBL29272204 0.83 RAF1 (0.58) KDRMAPK14LCKJAK3BRAF
SCHEMBL29272112 0.80 BRAF (0.49) KDRMAPK14LCKJAK3BRAF
SCHEMBL29272387 0.80 BRAF (0.58) KDRMAPK14BRAFMAPK13MAPK12
SCHEMBL30237164 0.80 BRAF (0.58) KDRMAPK14BRAFMAPK13MAPK12

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-4399210-A1 6-AZA-QUINOLINE DERIVATIVES AND RELATED USES Black Diamond Therapeutics, Inc. (US) 2024-07-17 — — EP 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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