SCHEMBL30321663

SCHEMBL30321663

Nc1cc(N2CCOCC2)ccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 3/20 0.53
CDK1 P06493 1/20 0.51
CDK2 P24941 1/20 0.51
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CHEK1 O14757 4/20 0.47
DHFR P00374 1/20 0.47
LMNA P02545 1/20 0.46
JAK2 O60674 1/20 0.45
PIK3CA P42336 2/20 0.43
PIK3CD O00329 1/20 0.43
PIK3R1 P27986 1/20 0.43
PIK3CB P42338 1/20 0.43
MAPK10 P53779 1/20 0.43
AGXT P21549 1/20 0.43
PRKDC P78527 2/20 0.43

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
SCHEMBL114416 1.00 LGMN (0.53) LGMNCDK1CDK2NPC1TP53
Hydrochloric Acid SCHEMBL4301140 0.98 LGMN (0.51) LGMNCDK1CDK2NPC1TP53
SCHEMBL1097561 0.83 CHKA (0.52) NPC1TP53MAPTALOX15RAB9A
SCHEMBL16212228 0.83 HRH4 (0.47) NPC1TP53MAPTALOX15RAB9A
SCHEMBL5847761 0.81 HRH4 (0.54) NPC1TP53MAPTALOX15RAB9A
SCHEMBL6262576 0.81 HRH4 (0.54) NPC1TP53MAPTALOX15RAB9A
SCHEMBL27936855 0.80 LRRK2 (0.59) LGMNCDK1CDK2SMN1; SMN2LMNA
SCHEMBL10767289 0.79 HRH4 (0.39) CDK1CDK2MAPTSMN1; SMN2LMNA
SCHEMBL7015551 0.79 LGMN (0.53) LGMNCDK1CDK2NPC1MAPT
SCHEMBL5848445 0.79 LGMN (0.54) LGMNCDK2MAPTALOX15CHEK1

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
CN-116789643-B 2-Aminopyrimidine compound and preparation method and application thereof 海南医学院 2025-05-06 CN claimed
CN-116789643-B 2-Aminopyrimidine compound and preparation method and application thereof 海南医学院 2025-05-06 CN disclosed
EP-4153576-A1 NOTCH INHIBITORS AND USES THEREOF StemSynergy Therapeutics, Inc. (US) 2023-03-29 EP disclosed