SCHEMBL29552667

SCHEMBL29552667

C=CC(=O)N1CC[C@H](N2CC(C#Cc3c(-c4ccc(Cl)c(OC)c4)c4c(N)ncnc4n3C)C2)[C@@H](O)C1.COc1cc(-c2c(C#CC3CN([C@H]4CCN(C(=O)OC(C)(C)C)C[C@@H]4O)C3)n(C)c3ncnc(N)c23)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 5/20 0.43
▸ RET P07949 1/20 0.41
▸ KIF5B P33176 1/20 0.41
▸ EGFR P00533 3/20 0.41
▸ ABL1 P00519 2/20 0.41
▸ ABL2 P42684 2/20 0.41
▸ ITK Q08881 2/20 0.41
▸ FGFR1 P11362 6/20 0.40
▸ FGFR4 P22455 5/20 0.40
▸ FGFR2 P21802 8/20 0.39
▸ BTK Q06187 3/20 0.38
▸ FGFR3 P22607 3/20 0.37
▸ KDR P35968 2/20 0.37

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
SCHEMBL24458957 0.95 SRC (0.46) SRCRETKIF5BEGFRABL1
SCHEMBL24458531 0.95 RET (0.45) RETKIF5BITKFGFR1FGFR4
SCHEMBL31523837 0.95 RET (0.45) RETKIF5BITKFGFR1FGFR4
SCHEMBL24458503 0.95 RET (0.45) RETKIF5BITKFGFR1FGFR4
SCHEMBL24458900 0.90 RET (0.46) RETKIF5BITKFGFR1FGFR4
SCHEMBL24458867 0.89 ITK (0.51) ITKFGFR1FGFR4FGFR2BTK
SCHEMBL24458598 0.88 ITK (0.46) RETKIF5BEGFRITKFGFR1
SCHEMBL24458458 0.88 FGFR4 (0.46) EGFRITKFGFR1FGFR4FGFR2
SCHEMBL31523724 0.88 FGFR4 (0.46) EGFRITKFGFR1FGFR4FGFR2
SCHEMBL31523780 0.87 ITK (0.44) RETKIF5BEGFRITKFGFR1

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-4247816-A1 SRC INHIBITORS AND USES THEREOF Relay Therapeutics, Inc. (US) 2023-09-27 — — EP disclosed
WO-2022109551-A1 SRC INHIBITORS AND USES THEREOF RELAY THERAPEUTICS, INC. (US) 2022-05-27 — — WO disclosed
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