SCHEMBL21258992

SCHEMBL21258992

CC(C)(C)OC(=O)COCC1(P)CCN(c2cncc(N(c3ccccc3)c3cccc(OC(F)F)c3)n2)CC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CKS1B P61024 4/20 0.33
▸ SKP1 P63208 4/20 0.33
▸ SKP2 Q13309 4/20 0.33
▸ CYP11B2 P19099 1/20 0.32
▸ FGFR1 P11362 1/20 0.31
▸ FGFR2 P21802 1/20 0.31
▸ FGFR4 P22455 1/20 0.31
▸ FGFR3 P22607 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ RET P07949 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
SCHEMBL21258990 0.92 CYP11B2 (0.32) CKS1BSKP1SKP2CYP11B2RET
SCHEMBL21258691 0.86 CKS1B (0.33) CKS1BSKP1SKP2CYP11B2RET
SCHEMBL21258952 0.85 PTGIR (0.37) CKS1BSKP1SKP2FGFR1FGFR2
SCHEMBL21258946 0.84 CKS1B (0.33) CKS1BSKP1SKP2CYP11B2
SCHEMBL21258939 0.82 CKS1B (0.38) CKS1BSKP1SKP2CYP11B2
SCHEMBL21258669 0.82 AKT1 (0.33) RET
SCHEMBL21258967 0.81 CKS1B (0.34) CKS1BSKP1SKP2CYP11B2RET
SCHEMBL21258995 0.79 CKS1B (0.38) CKS1BSKP1SKP2
SCHEMBL21258681 0.79 CKS1B (0.34) CKS1BSKP1SKP2CYP11B2
SCHEMBL22781926 0.79 MEN1 (0.35) CKS1BSKP1SKP2CYP11B2

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-2019154363-A1 PROSTACYCLIN RECEPTOR AGONIST 南京明德新药研发有限公司 2019-08-15 — — WO disclosed
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