SCHEMBL21518059

SCHEMBL21518059

Cc1nc2ccc(F)cc2n1-c1nc(N)nc(N)c1-c1ccc(OC(F)F)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BMI1 P35226 2/20 0.40
▸ PIK3CD O00329 4/20 0.35
▸ PIK3CA P42336 3/20 0.34
▸ MTOR P42345 3/20 0.34
▸ GRM2 Q14416 3/20 0.33
▸ DHFR P00374 1/20 0.32
▸ DCPS Q96C86 1/20 0.32
▸ GRIN2B Q13224 5/20 0.32
▸ GRIN1 Q05586 4/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ RPS6KA5 O75582 1/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31

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
SCHEMBL21518056 0.93 PIK3CD (0.35) BMI1PIK3CDPIK3CAMTORGRM2
SCHEMBL21518052 0.90 BMI1 (0.42) BMI1PIK3CDGRM2DHFRDCPS
SCHEMBL21518066 0.90 BMI1 (0.36) BMI1PIK3CDPIK3CAMTORGRM2
SCHEMBL16541069 0.89 ALDH1A1 (0.39) PIK3CDPIK3CAMTORDHFR
SCHEMBL21518060 0.87 BMI1 (0.50) BMI1PIK3CDPIK3CAMTORDHFR
SCHEMBL16540828 0.83 LCK (0.38) PIK3CDPIK3CAMTORHDAC1HDAC8
SCHEMBL17938230 0.80 MAP3K14 (0.44) PIK3CDPIK3CAMTORDHFRRPS6KA5
SCHEMBL16540268 0.79 BMI1 (0.38) BMI1PIK3CDPIK3CAMTORDHFR
SCHEMBL16541004 0.79 L3MBTL1 (0.43) PIK3CADHFR
SCHEMBL17938228 0.79 BMI1 (0.40) BMI1DHFR

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
EP-3039015-B1 SUBSTITUTED PYRIMIDINE BMI-1 INHIBITORS PTC THERAPEUTICS INC (US) 2019-10-30 — — EP claimed
EP-3039015-B1 SUBSTITUTED PYRIMIDINE BMI-1 INHIBITORS PTC THERAPEUTICS INC (US) 2019-10-30 — — EP disclosed
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