SCHEMBL7471063

SCHEMBL7471063

Nc1nccc(-c2ccc(-n3ccnc3)cc2)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.70
NPC1 O15118 2/20 0.70
MAPT P10636 2/20 0.56
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
LMNA P02545 1/20 0.56
MEN1 O00255 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
KMT2A Q03164 1/20 0.53
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSP90AA1 P07900 2/20 0.51
AURKA O14965 1/20 0.51
PRKACA P17612 1/20 0.51
ADORA2A P29274 1/20 0.51

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
SCHEMBL7458897 0.83 ABL1 (0.55) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL4903199 0.79 IKBKB (0.64) RAB9ANPC1MAPTCASP3SENP8
SCHEMBL14088822 0.78 IKBKB (0.57) RAB9ANPC1MAPTCASP3SENP8
SCHEMBL2533488 0.76 TSHR (0.84) RAB9ANPC1MAPTCASP3SENP8
SCHEMBL4898704 0.75 ADH5 (0.72) RAB9ANPC1MAPTALDH1A1CASP3
SCHEMBL4902208 0.74 ABL1 (0.67) RAB9ANPC1MEN1KMT2APRKACA
SCHEMBL2532397 0.74 LMNA (0.78) MAPTLMNAMEN1ALOX15TSHR
SCHEMBL7560816 0.74 CYP1A2 (0.53) MAPTKDM4EALDH1A1LMNAALOX15
SCHEMBL7462511 0.73 IKBKB (0.64) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL4902560 0.73 ABL1 (0.72) RAB9ANPC1CASP3SENP8SENP7

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