SCHEMBL3973959

SCHEMBL3973959

OCc1ccc(-c2nc(Nc3ccc(OCCC4CCCN4)cc3)nc3[nH]ccc23)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.38
BTK Q06187 1/20 0.38
CCNT1 O60563 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CDK2 P24941 1/20 0.37
CDK7 P50613 1/20 0.37
CDK9 P50750 1/20 0.37
CCNH P51946 1/20 0.37
CDK5 Q00535 1/20 0.37
AURKB Q96GD4 1/20 0.35
JAK2 O60674 7/20 0.34
HDAC1 Q13547 4/20 0.34
HDAC6 Q9UBN7 4/20 0.34
CHEK2 O96017 1/20 0.33
LTA4H P09960 1/20 0.33
PDPK1 O15530 1/20 0.33
LRRK2 Q5S007 1/20 0.33
JAK1 P23458 1/20 0.33
CRBN Q96SW2 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
SCHEMBL3974063 0.87 JAK3 (0.40) JAK3BTKCCNT1CDK1CCNB1
SCHEMBL3967985 0.84 AXL (0.39) JAK3AURKBJAK2HDAC1HDAC6
SCHEMBL13883618 0.83 JAK2 (0.43) JAK3JAK2HDAC1HDAC6JAK1
SCHEMBL3969959 0.83 JAK3 (0.38) JAK3BTKCCNT1CDK1CCNB1
SCHEMBL3974132 0.82 JAK3 (0.43) JAK3BTKCCNT1CDK1CCNB1
SCHEMBL3969991 0.82 JAK3 (0.36) JAK3BTKCCNT1CDK1CCNB1
SCHEMBL3971282 0.81 CCNT1 (0.36) JAK3BTKCCNT1CDK1CCNB1
SCHEMBL3969605 0.75 JAK3 (0.39) JAK3BTKAURKBJAK2PDPK1
SCHEMBL3969743 0.75 AXL (0.42) JAK3AURKBJAK2HDAC1HDAC6
SCHEMBL13883580 0.74 AXL (0.46) JAK3JAK2HDAC1HDAC6JAK1

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