SCHEMBL31145321

SCHEMBL31145321

CN(C)/C=C/C(=O)c1nccnc1Cl

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
GAA P10253 4/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 10/20 0.49
HTT P42858 4/20 0.49
HPGD P15428 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
ALOX12 P18054 1/20 0.49
RECQL P46063 2/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
POLB P06746 3/20 0.40
TDP1 Q9NUW8 1/20 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
SCHEMBL3953447 0.81 HTT (0.50) ALDH1A1GAAKDM4EMAPTHTT
SCHEMBL14033785 0.79 MAPT (0.53) ALDH1A1GAAKDM4EMAPTHTT
SCHEMBL4912957 0.79 MAPT (0.53) ALDH1A1GAAKDM4EMAPTHTT
SCHEMBL3566913 0.76 PIK3C3 (0.35) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL504041 0.76 SMN1; SMN2 (0.53) ALDH1A1GAAKDM4EMAPTHTT
SCHEMBL12778132 0.76 SMN1; SMN2 (0.53) ALDH1A1GAAKDM4EMAPTHTT
SCHEMBL504040 0.76 SMN1; SMN2 (0.53) ALDH1A1GAAKDM4EMAPTHTT
SCHEMBL13503036 0.74 MAPT (0.47) ALDH1A1GAAKDM4EMAPTHTT
SCHEMBL3605170 0.74 MAPT (0.47) ALDH1A1GAAKDM4EMAPTHTT
SCHEMBL17451268 0.74 LMNA (0.31) SMN1; SMN2LMNA

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
EP-4683628-A2 CDK2 MODULATORS, COMPOSITIONS, AND METHODS OF USE THEREOF Type6 Therapeutics, Inc. (US) 2026-01-28 EP disclosed
WO-2024196961-A2 CDK2 MODULATORS, COMPOSITIONS, AND METHODS OF USE THEREOF TYPE6 THERAPEUTICS, INC. (US) 2024-09-26 WO disclosed