SCHEMBL30405204

SCHEMBL30405204

CCCCOC(=O)NCCCCn1nc(-c2cc3ccc(OCc4ccccc4)cc3[nH]2)c2c(N)ncnc21

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 13/20 0.51
▸ FGFR1 P11362 1/20 0.47
▸ FGFR2 P21802 1/20 0.47
▸ KDR P35968 11/20 0.46
▸ SRC P12931 4/20 0.43
▸ HCK P08631 1/20 0.43
▸ ABL1 P00519 1/20 0.42
▸ BTK Q06187 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
SCHEMBL30363553 0.90 RET (0.49) RETFGFR1FGFR2KDRSRC
SCHEMBL21528023 0.90 RET (0.49) RETFGFR1FGFR2KDRSRC
SCHEMBL30405924 0.85 RET (0.52) RETFGFR1FGFR2KDRSRC
SCHEMBL23157800 0.78 RET (0.55) RETFGFR1FGFR2KDRSRC
SCHEMBL29669709 0.78 RET (0.55) RETFGFR1FGFR2KDRSRC
SCHEMBL20553584 0.78 RET (0.58) RETFGFR1FGFR2KDRSRC
SCHEMBL30405647 0.77 TGFBR1 (0.56) RETKDR
SCHEMBL17595914 0.75 RET (0.51) RETFGFR1FGFR2KDRSRC
SCHEMBL28353780 0.75 RET (0.56) RETFGFR1FGFR2KDRSRC
SCHEMBL23150479 0.74 FGFR1 (0.45) RETFGFR1FGFR2KDRSRC

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
EP-4168002-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS Revolution Medicines, Inc. (US) 2023-04-26 — — EP disclosed
Send feedback