SCHEMBL3965200

SCHEMBL3965200

Cc1cnc(Nc2ccc(OCCC3CCCN3)cc2)nc1-c1ccc(-c2ccccc2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 2/20 0.41
▸ JAK2 O60674 8/20 0.40
▸ JAK3 P52333 7/20 0.40
▸ LTA4H P09960 1/20 0.39
▸ CHRNA1 P02708 1/20 0.39
▸ CHRNG P07510 1/20 0.39
▸ CHRNB1 P11230 1/20 0.39
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNB4 P30926 1/20 0.39
▸ CHRNA3 P32297 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ CHRND Q07001 1/20 0.39
▸ YES1 P07947 2/20 0.39
▸ EPHB4 P54760 2/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ MERTK Q12866 1/20 0.38
▸ KDR P35968 2/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ SRC P12931 1/20 0.37

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
SCHEMBL3969743 0.91 AXL (0.42) AXLJAK2JAK3LTA4HCHRNA1
SCHEMBL3965488 0.91 CHRNA1 (0.41) AXLJAK2JAK3LTA4HCHRNA1
SCHEMBL3971087 0.89 AXL (0.41) AXLJAK2JAK3LTA4HCHRNA1
SCHEMBL3968635 0.89 AXL (0.39) AXLJAK2JAK3YES1EPHB4
SCHEMBL3960896 0.88 CCNA2 (0.46) AXLJAK2JAK3CDK1BRD4
SCHEMBL3968736 0.88 JAK2 (0.44) AXLJAK2JAK3YES1EPHB4
SCHEMBL3967433 0.88 AXL (0.44) AXLJAK2JAK3CHRNA3HDAC1
SCHEMBL3967639 0.88 AXL (0.39) AXLJAK2JAK3YES1EPHB4
SCHEMBL3968343 0.87 JAK2 (0.52) AXLJAK2JAK3YES1EPHB4
SCHEMBL3969931 0.87 CCNT1 (0.45) AXLJAK2JAK3CHRNB2CHRNA4

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
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