SCHEMBL7932057

SCHEMBL7932057

C=CCNc1nc(Cl)c(C(F)(F)F)c(OC(F)(F)F)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.31
MAPK1 P28482 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
SCHEMBL7925284 0.86 KMT2A (0.37) KMT2AGAACYP1A2CYP3A4CYP2C9
SCHEMBL7932076 0.77 PDE4A (0.33) KMT2ACYP1A2CYP2C19L3MBTL1MEN1
SCHEMBL9185660 0.72 CYP1A2 (0.45) KMT2AGAACYP1A2CYP3A4CYP2C9
SCHEMBL9185037 0.72 GAA (0.50) KMT2AGAACYP1A2CYP3A4CYP2C9
SCHEMBL7925335 0.70 CYP1A2 (0.38) KMT2AGAACYP1A2CYP3A4CYP2C9
SCHEMBL7935900 0.70 GAA (0.41) KMT2AGAACYP1A2CYP3A4CYP2C9
SCHEMBL9190290 0.70 GAA (0.44) KMT2AGAACYP1A2CYP3A4CYP2C9
SCHEMBL9189996 0.68 GAA (0.45) KMT2AGAACYP1A2CYP3A4CYP2C9
SCHEMBL7934702 0.68 ATM (0.43) KMT2AGAACYP1A2CYP2C9CYP2C19
SCHEMBL7933967 0.68 GAA (0.34) KMT2AGAACYP1A2CYP3A4CYP2C9

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-6235904-B1 VALUABLE INTERMEDIATES FOR ORGANIC SYNTHESES, ESPECIALLY FOR PREPARING CROP PROTECTION AGENTS. BASF AKTIENGESELLSCHAFT (DE) 2001-05-22 US disclosed
US-5283332-A 2-amino(fluoroalkoxy)pyrimidines and the preparation thereof BASF AKTIENGESELLSCHAFT (DE) 1994-02-01 US disclosed
EP-0445642-A1 2-Amino-(fluoralkoxy-pyrimidines) and process for their preparation BASF Aktiengesellschaft (DE) 1991-09-11 EP disclosed