SCHEMBL3970514

SCHEMBL3970514

O=C(c1cccnc1)N1CCc2sc(-c3nc(Nc4ccc(OCCC5CCCN5)cc4)nc4[nH]ccc34)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 7/20 0.42
KDR P35968 6/20 0.42
JAK3 P52333 2/20 0.38
BTK Q06187 1/20 0.38
SYK P43405 1/20 0.36
LRRK2 Q5S007 2/20 0.36
PDPK1 O15530 1/20 0.34
NAMPT P43490 1/20 0.34
HPGD P15428 1/20 0.34
ROCK2 O75116 1/20 0.33

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
SCHEMBL13883519 0.89 PDGFRB (0.45) PDGFRBKDRJAK3LRRK2PDPK1
SCHEMBL3969605 0.86 JAK3 (0.39) JAK3BTKLRRK2PDPK1
SCHEMBL13883524 0.80 TTK (0.49) PDGFRBKDRJAK3BTKLRRK2
SCHEMBL13883574 0.79 PDGFRB (0.42) PDGFRBKDRSYKLRRK2NAMPT
SCHEMBL13883717 0.77 KDR (0.46) PDGFRBKDRSYKLRRK2PDPK1
SCHEMBL13883706 0.77 JAK2 (0.45) PDGFRBJAK3BTKLRRK2PDPK1
SCHEMBL13883730 0.76 HRH3 (0.47) JAK3BTKLRRK2PDPK1
SCHEMBL13883719 0.76 JAK2 (0.43) JAK3BTKLRRK2PDPK1
SCHEMBL13883687 0.76 KDR (0.44) PDGFRBKDRJAK3BTKLRRK2
SCHEMBL13883705 0.76 JAK2 (0.43) PDGFRBKDRJAK3BTKSYK

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
WO-2009049028-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USE AS JANUS KINASE MODULATORS TARGEGEN INC. (US) 2009-04-16 WO disclosed