SCHEMBL29091968

SCHEMBL29091968

CSc1nc(Nc2ccc(N3CCOCC3)cc2)cc(N2CCN(C=O)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
KDM4E B2RXH2 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
IGF1R P08069 1/20 0.47
KMT2A Q03164 1/20 0.47
AURKA O14965 2/20 0.46
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.44
MAPK10 P53779 1/20 0.43
CYP1A2 P05177 1/20 0.42
PLK4 O00444 1/20 0.42
GALR2 O43603 1/20 0.42
GALR1 P47211 1/20 0.42
AURKB Q96GD4 1/20 0.42
ZAP70 P43403 1/20 0.41
LMNA P02545 2/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
JAK3 P52333 1/20 0.40
KDR P35968 3/20 0.40

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
SCHEMBL5380919 0.84 KMT2A (0.50) MAPTKDM4ERXFP1IGF1RKMT2A
SCHEMBL5402668 0.82 AURKA (0.48) MAPTKDM4ERXFP1IGF1RKMT2A
SCHEMBL29092174 0.82 IGF1R (0.46) MAPTIGF1RKMT2AAURKAMAPK1
SCHEMBL5815015 0.81 AURKA (0.47) MAPTKDM4ERXFP1IGF1RKMT2A
SCHEMBL5389772 0.81 MAPT (0.47) MAPTKDM4ERXFP1KMT2AAURKA
SCHEMBL26938050 0.80 GALR2 (0.48) MAPTKMT2AAURKAGALR2GALR1
SCHEMBL5387423 0.80 AURKA (0.42) MAPTKDM4ERXFP1IGF1RKMT2A
SCHEMBL5822050 0.80 INSR (0.46) MAPTKDM4ERXFP1IGF1RKMT2A
SCHEMBL5824056 0.80 AURKA (0.48) MAPTKDM4ERXFP1IGF1RKMT2A
SCHEMBL5820251 0.79 CYP1A2 (0.45) MAPTKDM4EKMT2AAURKACYP1A2

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
CN-116507611-A Novel capsid assembly inhibitor 佩勒梅德有限公司 2023-07-28 CN claimed
CN-116507611-A Novel capsid assembly inhibitor 佩勒梅德有限公司 2023-07-28 CN disclosed