SCHEMBL7471621

SCHEMBL7471621

c1ccc(Nc2nccc(-c3cccs3)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
ALDH1A1 P00352 2/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
GAA P10253 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
PRKCD Q05655 2/20 0.55
ABL1 P00519 1/20 0.55
EGFR P00533 1/20 0.55
PRKCA P17252 1/20 0.55
KDM4E B2RXH2 2/20 0.54
CDK2 P24941 2/20 0.53
CDK4 P11802 1/20 0.53
CDK1 P06493 2/20 0.53
IKBKB O14920 2/20 0.53
CHEK1 O14757 1/20 0.53
AURKA O14965 1/20 0.53
PDPK1 O15530 1/20 0.53
CHEK2 O96017 1/20 0.53

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
SCHEMBL7475248 0.87 PLK1 (0.58) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL3523266 0.86 CCNT1 (0.54) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL7469184 0.84 SYK (0.54) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL7466134 0.84 MEN1 (0.62) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL7470877 0.84 CDK2 (0.70) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL7475231 0.83 SYK (0.66) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL3518836 0.82 IKBKB (0.69) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL11924746 0.82 CYP1A2 (0.61) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL7470896 0.82 JAK2 (0.65) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL8255815 0.82 MAPK8 (0.66) MEN1KMT2AALDH1A1NPC1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0233461-B2 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID CO (US) 2002-05-29 EP disclosed