SCHEMBL3969813

SCHEMBL3969813

Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1-c1ccc(-c2cccc(C(=O)NC(C)(C)C)c2)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.54
BRD4 O60885 6/20 0.54
JAK3 P52333 6/20 0.54
JAK1 P23458 5/20 0.54
HDAC1 Q13547 3/20 0.54
RET P07949 2/20 0.54
TYK2 P29597 2/20 0.54
FLT3 P36888 2/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
AXL P30530 2/20 0.52
SRC P12931 5/20 0.52
KDR P35968 4/20 0.52
ABL1 P00519 3/20 0.52
BCR P11274 3/20 0.52
BRDT Q58F21 2/20 0.52
PDGFRB P09619 2/20 0.52
FGFR1 P11362 2/20 0.52
YES1 P07947 2/20 0.52
EPHB4 P54760 2/20 0.52

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
SCHEMBL4210119 0.88 JAK2 (0.51) JAK2BRD4JAK3JAK1HDAC1
SCHEMBL3965950 0.87 JAK2 (0.51) JAK2BRD4JAK3JAK1HDAC1
SCHEMBL13881557 0.86 AXL (0.60) JAK2BRD4JAK3JAK1HDAC1
SCHEMBL13881584 0.85 AXL (0.56) JAK2BRD4JAK3JAK1HDAC1
SCHEMBL13881536 0.84 JAK2 (0.71) JAK2BRD4JAK3JAK1HDAC1
SCHEMBL3969938 0.83 AXL (0.56) JAK2BRD4JAK3JAK1HDAC1
SCHEMBL3967251 0.82 JAK2 (0.60) JAK2BRD4JAK3JAK1HDAC1
SCHEMBL3966017 0.81 AXL (0.58) JAK2BRD4JAK3JAK1HDAC1
SCHEMBL3964138 0.81 JAK2 (0.59) JAK2BRD4JAK3JAK1HDAC1
SCHEMBL13881451 0.81 AXL (0.53) JAK2BRD4JAK3JAK1HDAC1

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