SCHEMBL24773363

SCHEMBL24773363

CN1CCC(N2CCN(c3ccc(Nc4ncc(C#N)c(Nc5cccc(N)n5)n4)cc3)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 2/20 0.55
▸ PDGFRB P09619 3/20 0.47
▸ CDK7 P50613 3/20 0.47
▸ CDK4 P11802 3/20 0.47
▸ FYN P06241 2/20 0.47
▸ CSF1R P07333 2/20 0.47
▸ RET P07949 2/20 0.47
▸ FGFR1 P11362 2/20 0.47
▸ FLT3 P36888 2/20 0.47
▸ CDK5 Q00535 2/20 0.47
▸ PRKAA1 Q13131 2/20 0.47
▸ CDK1 P06493 2/20 0.47
▸ CCNA2 P20248 2/20 0.47
▸ CDK2 P24941 2/20 0.47
▸ CDK9 P50750 2/20 0.47
▸ CDK6 Q00534 2/20 0.47
▸ PIK3CD O00329 1/20 0.47
▸ PRKAB2 O43741 1/20 0.47
▸ NUAK1 O60285 1/20 0.47
▸ CCNT1 O60563 1/20 0.47

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
SCHEMBL24773089 0.92 SLC2A1 (0.63) SLC2A1PDGFRBCDK7CDK4FYN
SCHEMBL24773361 0.85 WEE1 (0.57) SLC2A1PDGFRBCDK7CDK4FYN
SCHEMBL24773121 0.83 SLC2A1 (0.53) SLC2A1CDK7FYNCSF1RRET
SCHEMBL29310121 0.79 SLC2A1 (0.59) SLC2A1PDGFRBCDK7CDK4FYN
SCHEMBL24773698 0.79 BTK (0.54) SLC2A1AURKAWEE1BTKTNK2
SCHEMBL30997614 0.79 SLC2A1 (0.59) SLC2A1PDGFRBCDK7CDK4FYN
SCHEMBL30997622 0.77 SLC2A1 (0.57) SLC2A1PDGFRBCDK7CDK4FYN
SCHEMBL29310117 0.77 SLC2A1 (0.57) SLC2A1PDGFRBCDK7CDK4FYN
SCHEMBL24773713 0.76 SLC2A1 (0.41) SLC2A1CDK7CDK1CCNA2CDK2
SCHEMBL24773087 0.76 WEE1 (0.58) SLC2A1ALKWEE1JAK2PLK1

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-2022174796-A1 PYRIMIDINE COMPOUND AS WEE-1 INHIBITOR 微境生物医药科技(上海)有限公司 2022-08-25 — — WO disclosed
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