SCHEMBL30236523

SCHEMBL30236523

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

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 17/20 0.58
▸ BRAF P15056 14/20 0.58
▸ KDR P35968 3/20 0.53
▸ MAPK14 Q16539 3/20 0.53
▸ MAPK13 O15264 1/20 0.53
▸ MAPK12 P53778 1/20 0.53
▸ MAPK11 Q15759 1/20 0.53
▸ LCK P06239 2/20 0.48
▸ JAK3 P52333 2/20 0.48
▸ KRAS P01116 1/20 0.47

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
SCHEMBL29272354 1.00 RAF1 (0.58) RAF1BRAFKDRMAPK14MAPK13
SCHEMBL30236478 0.95 RAF1 (0.58) RAF1BRAFKDRMAPK14MAPK13
SCHEMBL29272204 0.95 RAF1 (0.58) RAF1BRAFKDRMAPK14MAPK13
SCHEMBL30236502 0.94 BRAF (0.60) RAF1BRAFKDRMAPK14MAPK13
SCHEMBL29272241 0.94 BRAF (0.60) RAF1BRAFKDRMAPK14MAPK13
SCHEMBL30236949 0.91 BRAF (0.49) RAF1BRAFKDRMAPK14MAPK13
SCHEMBL29272420 0.91 BRAF (0.49) RAF1BRAFKDRMAPK14MAPK13
SCHEMBL29272355 0.90 RAF1 (0.58) RAF1BRAF
SCHEMBL30236246 0.90 RAF1 (0.58) RAF1BRAF
SCHEMBL30236315 0.89 BRAF (0.59) RAF1BRAFKDRMAPK14MAPK13

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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