SCHEMBL14037933

SCHEMBL14037933

C=C1C=C(c2ccc(O)c(C)c2)C=C(c2ccc(NCC3CCNCC3)cc2C)N1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ EP300 Q09472 6/20 0.33
▸ CHRM1 P11229 3/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ CHRM5 P08912 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ KHK P50053 1/20 0.32
▸ CREBBP Q92793 1/20 0.32
▸ TRIM58 Q8NG06 2/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ ATAD2 Q6PL18 1/20 0.31
▸ SCN9A Q15858 1/20 0.30

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
SCHEMBL3329768 0.75 BRD4 (0.38) JAK2JAK1JAK3EP300CHRM1
SCHEMBL14037940 0.74 PDE10A (0.46) —
SCHEMBL3330960 0.72 PIM1 (0.51) JAK2JAK1JAK3CHRM1CHRM2
SCHEMBL4555954 0.66 SYK (0.46) BRD4ATAD2
SCHEMBL4555662 0.64 VCP (0.38) —
SCHEMBL3331131 0.63 PIM1 (0.48) BRD4ATAD2
SCHEMBL11915765 0.62 PIM1 (0.47) —
SCHEMBL3331234 0.62 PIM1 (0.50) —
Hydrochloric Acid SCHEMBL6582848 0.57 BRD4 (0.50) KHKBRD4ATAD2
SCHEMBL5605238 0.56 PRMT5 (0.45) CHRM1CHRM2CHRM4CHRM5CHRM3

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-2008133955-A1 6-PHENYLPYRIMIDINONES AS PIM MODULATORS EXELIXIS, INC. (US) 2008-11-06 — — WO disclosed
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