SCHEMBL5227918

SCHEMBL5227918

FC(F)(F)Cc1c(Cl)nc2ncnn2c1NC1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 4/20 0.40
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CDK2 P24941 1/20 0.35
GSK3B P49841 1/20 0.35
MAPK1 P28482 1/20 0.34
LMNA P02545 2/20 0.33
EGLN2 Q96KS0 1/20 0.32
GAA P10253 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 1/20 0.32
PDE2A O00408 1/20 0.32
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL5227382 0.84 MEN1 (0.47) KMT2AMEN1CDK2GSK3BMAPK1
SCHEMBL5229425 0.77 CDK2 (0.38) KMT2AMEN1CDK2GSK3BMAPK1
SCHEMBL14337376 0.75 MEN1 (0.40) MBOAT4KMT2AMEN1CDK2GSK3B
SCHEMBL14337411 0.75 ALDH1A1 (0.37) KMT2AMEN1CDK2GSK3BMAPK1
SCHEMBL4816384 0.74 CDK2 (0.35) KMT2AMEN1CDK2GSK3BMAPK1
SCHEMBL7958939 0.74 CDK2 (0.38) KMT2AMEN1CDK2GSK3BMAPK1
SCHEMBL978477 0.74 KMT2A (0.36) KMT2AMEN1CDK2GSK3BMAPK1
SCHEMBL5229324 0.73 MBOAT4 (0.63) MBOAT4
SCHEMBL8807136 0.73 NRP1 (0.41) KMT2AMEN1CDK2GSK3BMAPK1
SCHEMBL7487750 0.73 MAPK1 (0.37) KMT2AMEN1CDK2GSK3BMAPK1

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