SCHEMBL29272264

SCHEMBL29272264

CNc1cc2ncc(-c3cc(NC(=O)c4cncc(C(F)(F)F)c4)ccc3C)cc2cn1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 8/20 0.59
▸ MAPK14 Q16539 8/20 0.59
▸ LCK P06239 7/20 0.59
▸ JAK3 P52333 7/20 0.59
▸ TEK Q02763 4/20 0.56
▸ RAF1 P04049 9/20 0.53
▸ BRAF P15056 8/20 0.53
▸ ABL1 P00519 1/20 0.52
▸ DDR2 Q16832 1/20 0.47
▸ MAPK13 O15264 1/20 0.46
▸ LYN P07948 1/20 0.46
▸ KIT P10721 1/20 0.46
▸ PDGFRA P16234 1/20 0.46
▸ MAPK12 P53778 1/20 0.46
▸ EPHB4 P54760 1/20 0.46
▸ EPHA4 P54764 1/20 0.46
▸ MAPK11 Q15759 1/20 0.46

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
SCHEMBL30236705 1.00 KDR (0.59) KDRMAPK14LCKJAK3TEK
SCHEMBL29272482 0.89 RAF1 (0.53) KDRMAPK14LCKJAK3TEK
SCHEMBL30236184 0.89 RAF1 (0.53) KDRMAPK14LCKJAK3TEK
SCHEMBL30236274 0.86 LCK (0.48) KDRMAPK14LCKJAK3TEK
SCHEMBL29272158 0.86 LCK (0.48) KDRMAPK14LCKJAK3TEK
SCHEMBL30236871 0.86 LCK (0.48) KDRMAPK14LCKJAK3TEK
SCHEMBL30237067 0.86 LCK (0.48) KDRMAPK14LCKJAK3TEK
SCHEMBL29272271 0.86 RAF1 (0.57) KDRMAPK14LCKJAK3TEK
SCHEMBL30236582 0.84 RAF1 (0.57) KDRMAPK14LCKJAK3TEK
SCHEMBL30236502 0.84 BRAF (0.60) KDRMAPK14LCKJAK3TEK

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
CN-118159537-A 6-Aza-quinoline derivatives and related uses 黑钻治疗公司 2024-06-07 — — CN disclosed
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