SCHEMBL9191384

SCHEMBL9191384

c1ccc2c(c1)ccn2Nc1ncnc2c1ncn2-n1ccc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.42
▸ CDK1 P06493 2/20 0.34
▸ CCNB2 O95067 1/20 0.32
▸ CCNB1 P14635 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CCNB3 Q8WWL7 1/20 0.32
▸ YTHDC1 Q96MU7 1/20 0.32
▸ TMIGD3 P0DMS9 2/20 0.32
▸ ADORA2A P29274 2/20 0.32
▸ ADORA1 P30542 2/20 0.32
▸ PDE4A P27815 2/20 0.32
▸ PDE4B Q07343 2/20 0.32
▸ PDE4C Q08493 2/20 0.32
▸ PDE4D Q08499 2/20 0.32
▸ PDE5A O76074 1/20 0.32
▸ PDE1A P54750 1/20 0.32
▸ PDE1B Q01064 1/20 0.32
▸ PDE3B Q13370 1/20 0.32
▸ PDE1C Q14123 1/20 0.32
▸ PDE3A Q14432 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
SCHEMBL9197538 0.88 CDK1 (0.34) SLC6A2CDK1CCNB2CCNB1CDK2
SCHEMBL9197685 0.81 PI4KA (0.49) SLC6A2CDK1HTT
SCHEMBL9194252 0.75 PDE4A (0.64) ADORA2AADORA1PDE4APDE4BPDE4C
SCHEMBL9741377 0.74 EGFR (0.36) HTTHPGDSMN1; SMN2
SCHEMBL9193101 0.71 LMNA (0.66) ADORA2AADORA1HTTADORA2BNPC1
SCHEMBL9199457 0.71 CYP1A2 (0.35) SLC6A2
SCHEMBL9194028 0.69 SLC6A2 (0.46) SLC6A2HTTNPC1RAB9ASMN1; SMN2
SCHEMBL9848536 0.69 SLC6A2 (0.46) SLC6A2CDK2HTTNPC1HPGD
SCHEMBL18379331 0.65 CDK4 (0.54) SLC6A2HTTHPGDRAB9A
SCHEMBL9194494 0.64 YTHDC1 (0.38) CDK1CCNB2CCNB1CDK2CCNB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1029968-C Process for preparation of N-heteroaryl-purin-6-amines and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1995-10-11 — — CN disclosed
EP-0402752-B1 N-heteroaryl-purin-6-amines, a process for their preparation and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1995-09-13 — — EP disclosed
US-5155098-A Analgesics, anticonvulsants HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1992-10-13 — — US disclosed
US-5017578-A N-heteroaryl-purin-6-amines useful as analgesic and anticonvulsant agents HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-05-21 — — US disclosed
EP-0402752-A1 N-heteroaryl-purin-6-amines, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1990-12-19 — — EP disclosed
CN-1047866-A The preparation method of N-heteroaryl-purine-6-amine and medicinal HOECHST ROUSSEL PHARMA (US) 1990-12-19 — — CN disclosed
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