SCHEMBL5228839

SCHEMBL5228839

C=C(C)CN(CC)c1c(C(C)C)c(Cl)nc2ncnn12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPK1 P28482 1/20 0.39
ENPP1 P22413 5/20 0.33
ALDH1A1 P00352 1/20 0.32
CDK1 P06493 1/20 0.32
CDK2 P24941 1/20 0.32
GSK3B P49841 1/20 0.32
CRHR1 P34998 1/20 0.31
TP53 P04637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL5225820 0.88 LMNA (0.46) LMNACYP1A2MAPK1ENPP1ALDH1A1
SCHEMBL14398167 0.81 CRHR1 (0.44) LMNACYP1A2MAPK1ENPP1ALDH1A1
SCHEMBL7950853 0.80 MAPK1 (0.40) LMNACYP1A2MAPK1ENPP1ALDH1A1
SCHEMBL7492832 0.80 LMNA (0.38) LMNACYP1A2MAPK1ENPP1ALDH1A1
SCHEMBL4819883 0.78 KDM4E (0.41) LMNACYP1A2MAPK1ENPP1ALDH1A1
SCHEMBL5228747 0.78 LMNA (0.36) LMNACYP1A2MAPK1
SCHEMBL4819244 0.78 MAPK1 (0.38) LMNACYP1A2MAPK1ENPP1ALDH1A1
SCHEMBL4817223 0.77 ALDH1A1 (0.35) LMNACYP1A2MAPK1ENPP1ALDH1A1
SCHEMBL4818545 0.76 LMNA (0.34) LMNACYP1A2MAPK1ENPP1CDK1
SCHEMBL4819473 0.76 CRHR1 (0.41) LMNACYP1A2MAPK1ENPP1ALDH1A1

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
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
WO-2007113136-A1 USE OF SUBSTITUTED TRIAZOLOPYRIMIDINES FOR CONTROLLING PHYTOPATHOGENIC HARMFUL FUNGI BASF AKTIENGESELLSCHAFT (DE) 2007-10-11 WO disclosed