SCHEMBL30560065

SCHEMBL30560065

C=C(C#N)c1cnc(Nc2ccc(N3CCOCC3)cc2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 3/20 0.55
▸ IGF1R P08069 2/20 0.51
▸ HDAC1 Q13547 2/20 0.50
▸ HDAC3 O15379 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ JAK2 O60674 5/20 0.48
▸ JAK3 P52333 4/20 0.48
▸ PKMYT1 Q99640 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ CCND3 P30281 2/20 0.47
▸ CDK4 P11802 2/20 0.47
▸ CDK2 P24941 3/20 0.47
▸ CDK9 P50750 2/20 0.47
▸ CDK6 Q00534 2/20 0.47
▸ CCNK O75909 1/20 0.47
▸ CCNA2 P20248 1/20 0.47
▸ AURKA O14965 1/20 0.46

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
SCHEMBL30560062 0.87 ALK (0.53) SYKJAK2JAK3CCND3CDK2
SCHEMBL30560068 0.84 PTK2 (0.52) IGF1RJAK2JAK3MAPTCCND3
SCHEMBL29972048 0.74 PLK4 (0.68) SYKIGF1RJAK2TP53MAPT
SCHEMBL23704673 0.73 PKMYT1 (0.69) SYKIGF1RJAK3PKMYT1CCND3
SCHEMBL30560072 0.73 CCND3 (0.53) CCND3CDK4CDK2CDK9CDK6
SCHEMBL30560067 0.73 MAP4K1 (0.50) JAK3TBK1
SCHEMBL30560066 0.73 HDAC3 (0.59) SYKHDAC1HDAC3HDAC2HDAC6
SCHEMBL3503353 0.72 JAK2 (0.63) SYKIGF1RJAK2JAK3PKMYT1
SCHEMBL657421 0.71 SYK (1.00) SYKIGF1RJAK2JAK3PKMYT1
SCHEMBL12615134 0.71 SYK (0.55) SYKIGF1RTP53MAPTMAPK1

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
EP-3733184-B1 PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ICAHN SCHOOL MED MOUNT SINAI (US) 2023-08-30 — — EP claimed
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