SCHEMBL13622693

SCHEMBL13622693

COc1cc2nc(Nc3ccc4c(c3)C(C)C(C)N4)nc(N3CCOCC3)c2cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
JAK2 O60674 1/20 0.49
ZAP70 P43403 1/20 0.49
SYK P43405 1/20 0.49
MERTK Q12866 1/20 0.48
HPGD P15428 5/20 0.44
ALDH1A1 P00352 5/20 0.44
LMNA P02545 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HTT P42858 3/20 0.44
MAPK1 P28482 2/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HIF1A Q16665 1/20 0.44
PDE10A Q9Y233 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CHEK1 O14757 1/20 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
SCHEMBL424128 0.77 SMN1; SMN2 (0.51) SMN1; SMN2JAK2ZAP70SYKMERTK
SCHEMBL13622499 0.77 JAK2 (0.64) JAK2ZAP70SYKTDP1CHEK1
SCHEMBL13622503 0.76 JAK2 (0.45) SMN1; SMN2JAK2ZAP70SYKHPGD
SCHEMBL13015062 0.71 SMN1; SMN2 (0.57) SMN1; SMN2HPGDALDH1A1HIF1APDE10A
Hydrochloric Acid SCHEMBL3772388 0.70 SMN1; SMN2 (0.56) SMN1; SMN2HPGDALDH1A1HIF1APDE10A
Hydrochloric Acid SCHEMBL4048123 0.70 SMN1; SMN2 (0.56) SMN1; SMN2HPGDALDH1A1HIF1APDE10A
Hydrochloric Acid SCHEMBL4048122 0.70 SMN1; SMN2 (0.56) SMN1; SMN2HPGDALDH1A1HIF1APDE10A
SCHEMBL14267590 0.69 ALDH1A1 (0.56) ALDH1A1LMNAHTTMAPTTDP1
SCHEMBL4095286 0.68 MAPT (0.54) SMN1; SMN2MERTKHPGDALDH1A1LMNA
SCHEMBL30944998 0.68 MAPT (0.52) SMN1; SMN2JAK2MERTKMAPK1HSD17B10

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-7615552-B2 Fused heterocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2009-11-10 US disclosed