SCHEMBL30405222

SCHEMBL30405222

NCCCCn1nc(-c2cc3cccc(O)c3[nH]2)c2c(N)ncnc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 10/20 0.64
▸ PIK3CG P48736 8/20 0.64
▸ RET P07949 8/20 0.51
▸ KDR P35968 7/20 0.51
▸ PIK3CA P42336 6/20 0.49
▸ MTOR P42345 5/20 0.49
▸ SRC P12931 5/20 0.49
▸ PIK3CB P42338 5/20 0.49
▸ PRKDC P78527 5/20 0.49
▸ ABL1 P00519 4/20 0.49
▸ EGFR P00533 3/20 0.49
▸ HCK P08631 3/20 0.49
▸ EPHB4 P54760 3/20 0.49
▸ HDAC1 Q13547 2/20 0.44
▸ BMPR1B O00238 1/20 0.41
▸ PLK4 O00444 1/20 0.41
▸ PIK3C2B O00750 1/20 0.41
▸ CASK O14936 1/20 0.41
▸ GAK O14976 1/20 0.41
▸ EPHB6 O15197 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
SCHEMBL20552797 1.00 PIK3CD (0.64) PIK3CDPIK3CGRETKDRPIK3CA
Trifluoroacetic Acid SCHEMBL29669807 0.92 PIK3CD (0.56) PIK3CDPIK3CGRETKDRPIK3CA
Trifluoroacetic Acid SCHEMBL20553551 0.92 PIK3CD (0.56) PIK3CDPIK3CGRETKDRPIK3CA
SCHEMBL21528027 0.86 PIK3CD (0.60) PIK3CDPIK3CGRETKDRPIK3CA
SCHEMBL30405620 0.86 PIK3CD (0.60) PIK3CDPIK3CGRETKDRPIK3CA
SCHEMBL20553552 0.82 PIK3CD (0.45) PIK3CDPIK3CGRETKDRPIK3CA
SCHEMBL30404443 0.82 RET (0.63) PIK3CDPIK3CGRETKDRPIK3CA
SCHEMBL21528193 0.82 RET (0.63) PIK3CDPIK3CGRETKDRPIK3CA
SCHEMBL20552974 0.82 RET (0.57) PIK3CDPIK3CGRETKDRPIK3CA
SCHEMBL30405191 0.82 RET (0.57) PIK3CDPIK3CGRETKDRPIK3CA

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
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