SCHEMBL24569404

SCHEMBL24569404

Cc1cc(NC(=O)OC(C)(C)C)ccc1Cc1ccn2ncnc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 3/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
CYP17A1 P05093 2/20 0.40
MAPK14 Q16539 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
NR1I3 Q14994 1/20 0.36
MAP4K4 O95819 1/20 0.36
MET P08581 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
PCSK9 Q8NBP7 1/20 0.35
ACSS2 Q9NR19 1/20 0.35
DGAT1 O75907 1/20 0.35
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35
RORC P51449 1/20 0.34

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
SCHEMBL24167299 0.89 EGLN2 (0.43) EGLN2CA12CA1CA9CYP17A1
SCHEMBL24167374 0.89 EGLN2 (0.40) EGLN2CA12CA1CA9CYP17A1
SCHEMBL22122738 0.82 EGLN2 (0.53) EGLN2CA12CA1CA9CYP17A1
SCHEMBL24167687 0.74 EGLN2 (0.44) EGLN2CA12CA1CA9CYP17A1
SCHEMBL24168107 0.73 EGLN2 (0.43) EGLN2CA12CA1CA9CYP17A1
SCHEMBL30314920 0.73 ENPP1 (0.34) EGLN2MET
SCHEMBL24167631 0.73 ENPP1 (0.34) EGLN2MET
SCHEMBL24167444 0.72 EGFR (0.53)
SCHEMBL509795 0.72 CA12 (0.52) CA12CA1CA9CYP17A1MAPK14
SCHEMBL24167636 0.72 EGLN2 (0.42) EGLN2CA12CA1CA9CYP17A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4267137-A1 LACTAM (HETERO)ARYLFUSEDPYRIMIDINE DERIVATIVES AS INHIBITORS OF ERBB2 Enliven Inc. (US) 2023-11-01 EP disclosed
WO-2022140769-A1 LACTAM (HETERO)ARYLFUSEDPYRIMIDINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN THERAPEUTICS, INC. (US) 2022-06-30 WO disclosed
WO-2022140769-A1 LACTAM (HETERO)ARYLFUSEDPYRIMIDINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN THERAPEUTICS, INC. (US) 2022-06-30 WO disclosed