SCHEMBL3969959

SCHEMBL3969959

Cc1csc(-c2nc(Nc3ccc(OCCC4CCCN4)cc3)nc3[nH]ccc23)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.38
BTK Q06187 2/20 0.38
CCNT1 O60563 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CDK2 P24941 1/20 0.36
CDK7 P50613 1/20 0.36
CDK9 P50750 1/20 0.36
CCNH P51946 1/20 0.36
CDK5 Q00535 1/20 0.36
JAK1 P23458 1/20 0.34
PDPK1 O15530 1/20 0.34
AURKB Q96GD4 1/20 0.33
CHEK2 O96017 1/20 0.33
YES1 P07947 1/20 0.33
PDGFRB P09619 1/20 0.33
EPHB4 P54760 1/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 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
SCHEMBL3969991 0.86 JAK3 (0.36) JAK3BTKCCNT1CDK1CCNB1
SCHEMBL3973562 0.85 AXL (0.42) JAK3JAK1AURKBYES1PDGFRB
SCHEMBL13883571 0.83 SRC (0.46) JAK3JAK1YES1PDGFRBEPHB4
SCHEMBL3973959 0.83 JAK3 (0.38) JAK3BTKCCNT1CDK1CCNB1
SCHEMBL3974063 0.82 JAK3 (0.40) JAK3BTKCCNT1CDK1CCNB1
SCHEMBL3967981 0.81 PTK2 (0.42) JAK3BTKCDK1JAK1JAK2
SCHEMBL3971227 0.81 TTK (0.44) YES1PDGFRBEPHB4
SCHEMBL3971282 0.81 CCNT1 (0.36) JAK3BTKCCNT1CDK1CCNB1
SCHEMBL3974132 0.80 JAK3 (0.43) JAK3BTKCCNT1CDK1CCNB1
SCHEMBL4082415 0.80 TTK (0.46) JAK3CDK1CDK2CDK5JAK1

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