SCHEMBL14545901

SCHEMBL14545901

Cc1cnn2c(NCc3ccc(NC(=O)Nc4ccc(Cl)cc4)cc3)cc(-c3ccccc3Cl)nc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 5/20 0.55
▸ GSK3B P49841 5/20 0.51
▸ PSD A5PKW4 1/20 0.42
▸ NPC1 O15118 5/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ HPGD P15428 2/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ CYP1A1 P04798 1/20 0.40
▸ CTNNB1 P35222 1/20 0.40
▸ TCF7L2 Q9NQB0 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ EPHB4 P54760 1/20 0.40

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
SCHEMBL13289337 0.93 GSK3B (0.50) CDK2GSK3BPSDCNR1MAPT
SCHEMBL13289698 0.90 CDK2 (0.56) CDK2GSK3BPSDKMT2AMEN1
SCHEMBL13121694 0.90 CDK2 (0.70) CDK2GSK3B
SCHEMBL14545879 0.88 CDK2 (0.54) CDK2GSK3BPSDNPC1RAB9A
SCHEMBL14607199 0.87 CDK2 (0.51) CDK2GSK3BNPC1RAB9AKMT2A
SCHEMBL13121616 0.86 CDK2 (0.68) CDK2GSK3BPSD
SCHEMBL13121670 0.86 CDK2 (0.65) CDK2GSK3B
SCHEMBL13121710 0.84 CDK2 (0.63) CDK2GSK3B
SCHEMBL14301776 0.84 CDK2 (0.51) CDK2GSK3BCNR1EPHB4
SCHEMBL13121696 0.83 CDK2 (0.69) CDK2GSK3BNPC1RAB9AKMT2A

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-2007044449-A2 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-19 — — WO disclosed
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