SCHEMBL30405191

SCHEMBL30405191

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 17/20 0.57
▸ KDR P35968 12/20 0.53
▸ SRC P12931 4/20 0.53
▸ PIK3CD O00329 3/20 0.53
▸ ABL1 P00519 3/20 0.53
▸ EGFR P00533 2/20 0.53
▸ HCK P08631 2/20 0.53
▸ PIK3CA P42336 2/20 0.53
▸ PIK3CB P42338 2/20 0.53
▸ MTOR P42345 2/20 0.53
▸ PIK3CG P48736 2/20 0.53
▸ EPHB4 P54760 2/20 0.53
▸ PRKDC P78527 2/20 0.53
▸ BMPR1B O00238 1/20 0.53
▸ PLK4 O00444 1/20 0.53
▸ PIK3C2B O00750 1/20 0.53
▸ CASK O14936 1/20 0.53
▸ GAK O14976 1/20 0.53
▸ EPHB6 O15197 1/20 0.53
▸ DAPK3 O43293 1/20 0.53

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
SCHEMBL20552974 1.00 RET (0.57) RETKDRSRCPIK3CDABL1
Trifluoroacetic Acid SCHEMBL29669791 0.92 RET (0.54) RETKDRSRCPIK3CDABL1
Trifluoroacetic Acid SCHEMBL21528139 0.92 RET (0.54) RETKDRSRCPIK3CDABL1
SCHEMBL21528193 0.92 RET (0.63) RETKDRSRCPIK3CDABL1
SCHEMBL30404443 0.92 RET (0.63) RETKDRSRCPIK3CDABL1
SCHEMBL20553584 0.86 RET (0.58) RETKDRSRCPIK3CDABL1
SCHEMBL28353780 0.86 RET (0.56) RETKDRSRCPIK3CDABL1
SCHEMBL26061261 0.86 RET (0.54) RETKDRSRCABL1
Trifluoroacetic Acid SCHEMBL21528199 0.85 RET (0.55) RETKDRSRCPIK3CDABL1
Trifluoroacetic Acid SCHEMBL29669754 0.85 RET (0.55) RETKDRSRCPIK3CDABL1

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