SCHEMBL14397096

SCHEMBL14397096

Cc1ccc(-c2ccc3c(C)n[nH]c3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 5/20 0.53
ABL1 P00519 2/20 0.50
BCR P11274 2/20 0.50
FGFR1 P11362 2/20 0.50
FGFR2 P21802 2/20 0.50
GSK3B P49841 2/20 0.50
FGFR3 P22607 1/20 0.50
JAK2 O60674 1/20 0.50
CHEK1 O14757 3/20 0.47
CDK1 P06493 2/20 0.47
CDK4 P11802 2/20 0.47
CCNA2 P20248 2/20 0.47
CCND1 P24385 2/20 0.47
CDK2 P24941 2/20 0.47
CCND3 P30281 2/20 0.47
SGK1 O00141 1/20 0.45
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
MAPK1 P28482 1/20 0.42
MAP2K4 P45985 1/20 0.42

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
SCHEMBL12907457 0.87 JAK2 (0.67) PDPK1FGFR1FGFR2GSK3BFGFR3
SCHEMBL12907451 0.86 FGFR1 (0.70) PDPK1FGFR1FGFR2GSK3BFGFR3
SCHEMBL19188029 0.85 JAK2 (0.57) PDPK1JAK2CDK1CDK2ADORA2A
SCHEMBL31552439 0.84 ITK (0.53) CHEK1ADORA2AADORA2BMAPK1MAP2K4
SCHEMBL12247 0.84 ITK (0.53) CHEK1ADORA2AADORA2BMAPK1MAP2K4
SCHEMBL6479941 0.84 JAK2 (0.72) PDPK1ABL1BCRJAK2CDK2
SCHEMBL12907438 0.83 GSK3B (0.54) PDPK1ABL1BCRFGFR1FGFR2
SCHEMBL12907468 0.83 GSK3B (0.54) PDPK1ABL1BCRFGFR1FGFR2
SCHEMBL13115653 0.82 ABL1 (0.48) PDPK1ABL1BCRFGFR1FGFR2
SCHEMBL12907422 0.82 GSK3B (0.55) PDPK1FGFR1FGFR2GSK3BFGFR3

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-2007115231-A2 CXCR4 MODULATORS CHEMOCENTRYX, INC. (US) 2007-10-11 WO disclosed