SCHEMBL22677178

SCHEMBL22677178

COC(=O)c1ccc(-c2c(C)n(C)c3ncnc(N)c23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 7/20 0.47
▸ SRC P12931 4/20 0.47
▸ EGFR P00533 2/20 0.47
▸ RPS6KA3 P51812 5/20 0.46
▸ TEK Q02763 4/20 0.43
▸ KIT P10721 3/20 0.43
▸ RPS6KB1 P23443 5/20 0.42
▸ FYN P06241 3/20 0.42
▸ VCP P55072 2/20 0.42
▸ EPHA2 P29317 2/20 0.42
▸ YES1 P07947 1/20 0.42
▸ ADORA2A P29274 1/20 0.42
▸ ADORA2B P29275 1/20 0.42
▸ LCK P06239 3/20 0.41
▸ ABL1 P00519 2/20 0.41
▸ PIK3CD O00329 1/20 0.41
▸ HCK P08631 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ PIK3CB P42338 1/20 0.41
▸ MTOR P42345 1/20 0.41

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
SCHEMBL22658885 0.87 KDR (0.44) KDRSRCEGFRRPS6KA3TEK
SCHEMBL22675996 0.81 SRC (0.53) KDRSRCEGFRTEKKIT
SCHEMBL25129546 0.81 BTK (0.44) KDRRPS6KA3TEKRPS6KB1FYN
SCHEMBL22658573 0.78 FGFR1 (0.60) KDRSRCEGFRRPS6KA3TEK
SCHEMBL29407661 0.78 FGFR1 (0.60) KDRSRCEGFRRPS6KA3TEK
SCHEMBL29407781 0.77 SRC (0.55) KDRSRCEGFRTEKLCK
SCHEMBL22677981 0.77 SRC (0.55) KDRSRCEGFRTEKLCK
SCHEMBL20198773 0.75 BTK (0.46) EGFRRETFLT3BLKERBB4
SCHEMBL22676116 0.73 KDR (0.47) KDRSRCEGFRRPS6KA3TEK
SCHEMBL24458853 0.73 RET (0.47) KDRSRCEGFRABL1PIK3CD

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-4306529-A2 FGFR INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2024-01-17 — — EP disclosed
WO-2020231990-A1 FGFR INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2020-11-19 — — WO disclosed
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