SCHEMBL26061889

SCHEMBL26061889

Nc1ncnc2c1c(I)nn2CC1CCNC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 10/20 0.58
ABL1 P00519 7/20 0.58
KDR P35968 5/20 0.58
HCK P08631 5/20 0.58
PIK3CD O00329 5/20 0.58
PIK3CA P42336 5/20 0.58
PIK3CB P42338 5/20 0.58
PIK3CG P48736 5/20 0.58
PRKDC P78527 5/20 0.58
EGFR P00533 4/20 0.58
MTOR P42345 4/20 0.58
EPHB4 P54760 4/20 0.58
PI4KB Q9UBF8 4/20 0.58
PRKD3 O94806 3/20 0.53
PRKD1 Q15139 2/20 0.53
PRKD2 Q9BZL6 2/20 0.53
LCK P06239 3/20 0.48
CDC7 O00311 1/20 0.48
PLK4 O00444 1/20 0.48
DYRK3 O43781 1/20 0.48

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
SCHEMBL14617265 0.93 ABL1 (0.64) SRCABL1KDRHCKPIK3CD
SCHEMBL3684615 0.86 JAK2 (0.56) SRCABL1KDRHCKPIK3CD
SCHEMBL19362386 0.84 SRC (0.45) SRCABL1KDRHCKPIK3CD
SCHEMBL19362539 0.84 SRC (0.45) SRCABL1KDRHCKPIK3CD
SCHEMBL19362459 0.84 SRC (0.45) SRCABL1KDRHCKPIK3CD
SCHEMBL25678106 0.83 JAK2 (0.53) SRCABL1KDRHCKPIK3CD
SCHEMBL25678092 0.82 SRC (0.52) SRCABL1KDRHCKPIK3CD
SCHEMBL17962825 0.80 RET (0.56) SRCABL1KDRPIK3CDPIK3CA
SCHEMBL17936188 0.79 KCNH2 (0.56) SRCABL1KDRPIK3CDPIK3CA
SCHEMBL24251864 0.79 SRC (0.64) SRCABL1KDRHCKPIK3CD

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-4234031-A2 C40-, C28-, AND C-32-LINKED RAPAMYCIN ANALOGS AS MTOR INHIBITORS Revolution Medicines, Inc. (US) 2023-08-30 EP disclosed