SCHEMBL3968520

SCHEMBL3968520

Cc1cnc(Nc2ccc(-c3ncc[nH]3)cc2)nc1-c1ccc(Cl)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.39
PDE4B Q07343 4/20 0.39
CDK1 P06493 5/20 0.37
KDR P35968 4/20 0.37
AXL P30530 5/20 0.36
PDE4D Q08499 2/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
CCNT1 O60563 1/20 0.35
CDK4 P11802 1/20 0.35
CCNB1 P14635 1/20 0.35
CCND1 P24385 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CDK7 P50613 1/20 0.35
CDK9 P50750 1/20 0.35
CCNH P51946 1/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35

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
SCHEMBL3969736 0.80 AURKA (0.37) NISCHKDRAXLTP53GAA
SCHEMBL3965914 0.75 JAK2 (0.48) PDE4BTP53GAAMAPTCDK2
SCHEMBL13881534 0.73 JAK2 (0.45) PDE4BCDK1KDRAXLPDE4D
SCHEMBL3963688 0.73 JAK2 (0.59) CDK1TP53MAPTCCNT1CDK4
SCHEMBL10960475 0.71 NISCH (0.46) NISCH
SCHEMBL13881483 0.69 AXL (0.64) KDRAXLPDE4DCDK4CDK7
SCHEMBL3967433 0.68 AXL (0.44) PDE4BAXLJAK2JAK3
SCHEMBL2051189 0.68 NISCH (0.42) NISCHMAPT
SCHEMBL3963849 0.67 CYP2A6 (0.42) TP53GAAMAPT
SCHEMBL2433331 0.65 BRD4 (0.63) KDRAXLPDE4DCDK4CDK7

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-2009046416-A1 ANILINOPYRIMIDINES AS JAK KINASE INHIBITORS TARGEGEN INC. (US) 2009-04-09 WO claimed
WO-2009046416-A1 ANILINOPYRIMIDINES AS JAK KINASE INHIBITORS TARGEGEN INC. (US) 2009-04-09 WO disclosed