SCHEMBL3971546

SCHEMBL3971546

CC(=O)N1CCc2sc(-c3nc(Nc4cccc(N5CCN(C)CC5)c4)nc4[nH]ccc34)cc2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.45
CCNA2 P20248 9/20 0.45
CCNT1 O60563 8/20 0.45
CDK9 P50750 8/20 0.45
TTK P33981 1/20 0.44
JAK2 O60674 2/20 0.44
BRD4 O60885 1/20 0.44
EGFR P00533 2/20 0.43
JAK1 P23458 1/20 0.43
JAK3 P52333 1/20 0.43
BTK Q06187 1/20 0.43
KCNH2 Q12809 1/20 0.43
PTK2 Q05397 5/20 0.42
AURKA O14965 1/20 0.42
CDK1 P06493 4/20 0.42
CCNB1 P14635 4/20 0.42
CDK7 P50613 4/20 0.42
CCNH P51946 4/20 0.42
CCNA1 P78396 4/20 0.42
PDPK1 O15530 1/20 0.41

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
SCHEMBL13883500 0.92 JAK2 (0.46) CDK2CCNA2CCNT1CDK9TTK
SCHEMBL13883523 0.92 TTK (0.53) TTKJAK2BRD4EGFRJAK1
SCHEMBL13883690 0.91 JAK2 (0.43) CDK2CCNA2CCNT1CDK9TTK
SCHEMBL13883697 0.90 JAK2 (0.41) CDK2CCNA2CCNT1CDK9TTK
SCHEMBL13883495 0.90 TTK (0.42) CDK2CCNA2CCNT1CDK9TTK
SCHEMBL13883685 0.90 JAK2 (0.44) CDK2CCNA2TTKJAK2BRD4
SCHEMBL13883692 0.90 JAK2 (0.41) CDK2CCNA2CCNT1CDK9TTK
SCHEMBL4084023 0.89 TTK (0.49) CDK2CCNA2CCNT1CDK9TTK
SCHEMBL13883687 0.89 KDR (0.44) CDK2CCNA2CCNT1CDK9TTK
SCHEMBL3964197 0.88 JAK2 (0.40) CDK2CCNA2CCNT1CDK9TTK

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