SCHEMBL5229425

SCHEMBL5229425

Clc1nc2ncnn2c(NC2CCCC2)c1C1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.38
GSK3B P49841 1/20 0.38
EGLN2 Q96KS0 3/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.34
RECQL P46063 1/20 0.34
PDE2A O00408 6/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL5231931 0.81 ENPP1 (0.42) MAPK1LMNAMEN1KMT2APDE2A
SCHEMBL14337411 0.80 ALDH1A1 (0.37) CDK2GSK3BEGLN2MAPK1LMNA
SCHEMBL5227382 0.80 MEN1 (0.47) CDK2GSK3BMAPK1LMNAMEN1
SCHEMBL7958939 0.79 CDK2 (0.38) CDK2GSK3BEGLN2MAPK1LMNA
SCHEMBL5227148 0.78 PDE2A (0.36) MAPK1LMNAMEN1KMT2APDE2A
SCHEMBL5228395 0.78 PDE2A (0.36) MAPK1LMNAMEN1KMT2APDE2A
SCHEMBL5225477 0.78 PDE2A (0.38) MEN1KMT2APDE2A
SCHEMBL5227316 0.78 MBOAT4 (0.41) PDE2AALDH1A1POLB
SCHEMBL8807136 0.78 NRP1 (0.41) CDK2GSK3BEGLN2MAPK1LMNA
SCHEMBL5225793 0.77 PDE2A (0.35) MAPK1PDE2ASMN1; SMN2GAA

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
US-7307172-B2 7-amino triazolopyrimidines for controlling harmful fungi BASF AKTIENGESELLSCHAFT (DE) 2007-12-11 US claimed
EP-1414302-B1 7-AMINO TRIAZOLOPYRIMIDINES FOR CONTROLLING HARMFUL FUNGI BASF AG (DE) 2007-03-21 EP claimed