SCHEMBL3971227

SCHEMBL3971227

Cc1csc(-c2nc(Nc3ccc(OCCN4CCN(C)CC4)cc3)nc3[nH]ccc23)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TTK P33981 3/20 0.44
SRC P12931 10/20 0.44
YES1 P07947 2/20 0.44
LRRK2 Q5S007 1/20 0.42
PRKCQ Q04759 3/20 0.41
PRKCD Q05655 3/20 0.41
AXL P30530 1/20 0.40
PDGFRB P09619 1/20 0.40
EGFR P00533 1/20 0.40
MAP3K7 O43318 1/20 0.39
KDR P35968 2/20 0.38
LCK P06239 1/20 0.38
MAPK14 Q16539 1/20 0.38
PRKCB P05771 1/20 0.38
PRKCH P24723 1/20 0.38
PRKCE Q02156 1/20 0.38
EPHB4 P54760 1/20 0.38

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
SCHEMBL13883571 0.94 SRC (0.46) SRCYES1AXLPDGFRBEGFR
SCHEMBL4082415 0.92 TTK (0.46) TTKSRCLRRK2PRKCQPRKCD
SCHEMBL3970118 0.85 SRC (0.46) SRCYES1PRKCQPDGFRB
SCHEMBL3967981 0.83 PTK2 (0.42) SRCEGFRKDRLCKMAPK14
SCHEMBL3970291 0.83 TTK (0.63) TTKEGFRMAP3K7
SCHEMBL3969752 0.83 ZAP70 (0.48) TTKLRRK2AXLEGFRMAP3K7
SCHEMBL3969959 0.81 JAK3 (0.38) YES1PDGFRBEPHB4
SCHEMBL13883580 0.81 AXL (0.46) SRCYES1AXLPDGFRBEGFR
SCHEMBL3969268 0.81 HRH3 (0.46) SRCAXL
SCHEMBL3971647 0.80 PDPK1 (0.47) TTKPRKCQPRKCDAXLKDR

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