SCHEMBL25113285

SCHEMBL25113285

Cc1nn(CCCCN)c2ncnc(N)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 2/20 0.43
▸ HDAC1 Q13547 3/20 0.43
▸ SRC P12931 7/20 0.43
▸ YES1 P07947 3/20 0.43
▸ FGR P09769 3/20 0.43
▸ MTOR P42345 3/20 0.42
▸ PIK3CD O00329 3/20 0.42
▸ PIK3CA P42336 3/20 0.42
▸ PIK3CB P42338 3/20 0.42
▸ PIK3CG P48736 3/20 0.42
▸ PRKDC P78527 3/20 0.42
▸ ABL1 P00519 3/20 0.42
▸ EGFR P00533 3/20 0.42
▸ HCK P08631 2/20 0.42
▸ KDR P35968 2/20 0.42
▸ EPHB4 P54760 2/20 0.42
▸ CYP1A2 P05177 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ TP53 P04637 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
SCHEMBL30404896 0.84 ADK (0.46) RETHDAC1SRCMTORPIK3CD
SCHEMBL20553120 0.84 ADK (0.46) RETHDAC1SRCMTORPIK3CD
SCHEMBL10261070 0.81 SRC (0.52) RETHDAC1SRCYES1FGR
SCHEMBL10261498 0.79 PIK3CD (0.53) RETSRCYES1FGRMTOR
SCHEMBL24096871 0.79 SRC (0.45) RETSRCYES1FGRMTOR
SCHEMBL29677976 0.78 SRC (0.65) SRCMTORPIK3CDPIK3CAPIK3CB
SCHEMBL25678139 0.75 MTOR (0.49) RETHDAC1SRCYES1FGR
SCHEMBL21028946 0.74 PIK3CD (0.55) SRCYES1FGRMTORPIK3CD
SCHEMBL22215343 0.74 PIK3CD (0.55) RETSRCYES1FGRMTOR
SCHEMBL26148251 0.74 MAPK1 (0.42) RETSRCYES1FGRMTOR

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-4234031-A2 C40-, C28-, AND C-32-LINKED RAPAMYCIN ANALOGS AS MTOR INHIBITORS Revolution Medicines, Inc. (US) 2023-08-30 — — EP disclosed
EP-3788049-B1 C40-, C28-, AND C-32-LINKED RAPAMYCIN ANALOGS AS MTOR INHIBITORS REVOLUTION MEDICINES INC (US) 2023-03-29 — — EP disclosed
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