SCHEMBL6268061

SCHEMBL6268061

COc1nc2nc(N)nc(C3CCCC3)c2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ CCNA2 P20248 5/20 0.39
▸ CDK2 P24941 5/20 0.39
▸ CDK1 P06493 4/20 0.37
▸ CCNB1 P14635 4/20 0.37
▸ FFAR2 O15552 3/20 0.34
▸ HRH4 Q9H3N8 1/20 0.33
▸ CCNA1 P78396 1/20 0.32

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
SCHEMBL6270186 0.99 HRH2 (0.41) HRH2HRH3CCNA2CDK2CDK1
SCHEMBL8069364 0.80 GHSR (0.34) HRH2HRH3CCNA2CDK2CDK1
SCHEMBL7984879 0.78 CCNA2 (0.32) CCNA2CDK2CDK1CCNB1
SCHEMBL1337886 0.76 PNP (0.42) HRH2HRH3CCNA2CDK2CDK1
SCHEMBL1251786 0.76 — —
SCHEMBL8068215 0.71 HSD11B1 (0.33) —
SCHEMBL8068229 0.70 ALDH1A1 (0.39) —
SCHEMBL27593677 0.70 HRH2 (0.34) HRH2HRH3CCNA2CDK2CDK1
SCHEMBL8934284 0.67 CDK2 (0.57) CCNA2CDK2CDK1CCNB1HRH4
SCHEMBL6270259 0.66 SPIN1 (0.39) CCNA2CDK2CDK1CCNB1FFAR2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1017394-B1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES CANCER REC TECH LTD (GB) 2005-12-07 — — EP claimed
US-6303618-B1 ADMINISTERING PURINE COMPOUND WHICH INHIBITS CYCLIC DEPENDENT KINASE ACTIVITY FOR THERAPY OF TUMOR OR OTHER CELL PROLIFERATION DISORDER CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2001-10-16 — — US claimed
WO-1999002162-A9 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES CANCER RES CAMPAIGN TECH (GB) 1999-07-29 — — WO claimed
EP-1017394-B1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES CANCER REC TECH LTD (GB) 2005-12-07 — — EP disclosed
US-6303618-B1 ADMINISTERING PURINE COMPOUND WHICH INHIBITS CYCLIC DEPENDENT KINASE ACTIVITY FOR THERAPY OF TUMOR OR OTHER CELL PROLIFERATION DISORDER CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2001-10-16 — — US disclosed
EP-1017394-A1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-07-12 — — EP disclosed
WO-1999002162-A9 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES CANCER RES CAMPAIGN TECH (GB) 1999-07-29 — — WO disclosed
WO-1999002162-A1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1999-01-21 — — WO disclosed
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