SCHEMBL13622503

SCHEMBL13622503

CC1Nc2ccc(Nc3nc(N4CCOCC4)c4[nH]c(Br)nc4n3)cc2C1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.45
ZAP70 P43403 1/20 0.45
SYK P43405 1/20 0.45
CHEK1 O14757 8/20 0.44
LRRK2 Q5S007 1/20 0.44
TTK P33981 1/20 0.38
MAPT P10636 4/20 0.37
MAPK1 P28482 3/20 0.37
TP53 P04637 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 3/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KMT2A Q03164 1/20 0.36
IGF1R P08069 1/20 0.36

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
SCHEMBL13622499 0.85 JAK2 (0.64) JAK2ZAP70SYKCHEK1LRRK2
SCHEMBL13610138 0.76 CHEK1 (0.48) JAK2ZAP70SYKCHEK1LRRK2
SCHEMBL13622693 0.76 SMN1; SMN2 (0.49) JAK2ZAP70SYKCHEK1LRRK2
SCHEMBL14267590 0.68 ALDH1A1 (0.56) MAPTALDH1A1LMNAHTTKMT2A
SCHEMBL12773823 0.67 CHEK1 (0.55) JAK2ZAP70SYKCHEK1LRRK2
SCHEMBL13986102 0.64 TYK2 (0.41) SYKHSD17B10
SCHEMBL13610137 0.62 CHEK1 (0.67) JAK2ZAP70SYKCHEK1LRRK2
SCHEMBL13439743 0.60 RAF1 (0.42) MAPTTP53ALDH1A1SMN1; SMN2KDM4E
SCHEMBL13439915 0.60 MAPT (0.40) MAPTTP53ALDH1A1LMNAHTT
SCHEMBL3324581 0.60 PIK3CA (0.49) JAK2CHEK1LRRK2MAPK1TP53

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