SCHEMBL11512159

SCHEMBL11512159

Cc1nnc2ncc(-c3cccc(Cl)c3)nn12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
PDE10A Q9Y233 1/20 0.41
BACE1 P56817 1/20 0.41
DYRK3 O43781 1/20 0.41
CCNT1 O60563 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CDK9 P50750 1/20 0.41
CDK5 Q00535 1/20 0.41
DYRK1A Q13627 1/20 0.41
CDK5R1 Q15078 1/20 0.41
DYRK2 Q92630 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL11511523 0.83 FYN (0.47) FYNKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL11509322 0.80 KDM4E (0.65) FYNLMNAMAPTDYRK3CCNT1
SCHEMBL11623112 0.77 KDM4E (0.65) FYNSMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL11624931 0.76 BRD4 (0.44) FYNSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL11511075 0.74 MET (0.62) FYNRAB9ANPC1MET
SCHEMBL11476225 0.73 SMN1; SMN2 (0.52) SMN1; SMN2RAB9ANPC1LMNAMAPT
SCHEMBL11143235 0.70 SMN1; SMN2 (0.46) FYNSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL2614946 0.69 KDM1A (0.50) SMN1; SMN2RAB9ANPC1LMNAMAPT
SCHEMBL10536971 0.69 LMNA (0.55) SMN1; SMN2RAB9ANPC1LMNAMAPT
SCHEMBL10835032 0.68 IDO1 (0.47) SMN1; SMN2RAB9ANPC1MAPTCYP1A2

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
US-4159375-A 6- AND 7-Aryl-1,2,4-triazolo[4,3-b]-1,2,4-triazines AMERICAN CYANAMID COMPANY (US) 1979-06-26 US claimed