SCHEMBL26008653

SCHEMBL26008653

CCC(C)Nc1ncnc2ccc(I)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.51
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CD38 P28907 2/20 0.45
TP53 P04637 1/20 0.43
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
GAA P10253 1/20 0.42
KRAS P01116 1/20 0.41
FBP1 P09467 1/20 0.41
GALR3 O60755 1/20 0.40
NR2F2 P24468 1/20 0.40
EGFR P00533 3/20 0.40
ERBB2 P04626 1/20 0.40
ERBB4 Q15303 1/20 0.40
MAP4K4 O95819 2/20 0.38
FLT1 P17948 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PRNP P04156 1/20 0.38

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
SCHEMBL13283265 0.85 HTT (0.69) HTTLMNASMN1; SMN2CD38TP53
SCHEMBL13283199 0.79 GALR3 (0.63) HTTLMNASMN1; SMN2GAAGALR3
SCHEMBL4572178 0.79 GALR3 (0.63) HTTLMNASMN1; SMN2GAAGALR3
SCHEMBL24576524 0.78 GALR3 (0.70) LMNAKRASGALR3NR2F2EGFR
SCHEMBL31505709 0.78 GALR3 (0.70) LMNAKRASGALR3NR2F2EGFR
SCHEMBL24577013 0.78 GALR3 (0.70) LMNAKRASGALR3NR2F2EGFR
SCHEMBL29775126 0.78 GALR3 (0.70) LMNAKRASGALR3NR2F2EGFR
SCHEMBL7804103 0.77 CYP1A2 (0.54) HTTLMNASMN1; SMN2CCNCCDK8
SCHEMBL13283195 0.76 MAP4K4 (0.48) HTTLMNASMN1; SMN2CD38CCNC
SCHEMBL24576686 0.76 EGFR (0.65) HTTLMNASMN1; SMN2KRASGALR3

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
WO-2023154124-A1 ACYLATED HETEROCYCLIC QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN THERAPEUTICS, INC. (US) 2023-08-17 WO disclosed