SCHEMBL10799560

SCHEMBL10799560

CC1CN2C(=O)c3nc[nH]c3N(Cc3ccc(Cl)cc3)C2=N1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ GRM2 Q14416 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ACP1 P24666 1/20 0.33
▸ PDE5A O76074 2/20 0.32
▸ TRPA1 O75762 1/20 0.32
▸ CES2 O00748 1/20 0.31
▸ BCHE P06276 1/20 0.31
▸ CES1 P23141 1/20 0.31

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
SCHEMBL10795837 0.82 PDE5A (0.35) TSHRMEN1KMT2AGRM2PDE4A
SCHEMBL11072434 0.79 ACP1 (0.33) TSHRMEN1KMT2ALMNAHTT
SCHEMBL11280822 0.79 ACP1 (0.33) TSHRMEN1KMT2ALMNAHTT
SCHEMBL10795764 0.79 ACP1 (0.33) TSHRMEN1KMT2ALMNAHTT
SCHEMBL11280837 0.79 ACP1 (0.33) TSHRMEN1KMT2ALMNAHTT
SCHEMBL10795586 0.79 TSHR (0.57) TSHRMEN1KMT2AHTTACP1
Hydrochloric Acid SCHEMBL11069993 0.78 TSHR (0.56) TSHRMEN1KMT2ALMNAHTT
SCHEMBL10800156 0.77 TSHR (0.52) TSHRMEN1KMT2ALMNAHTT
Water SCHEMBL10795900 0.75 PDE4A (0.36) TSHRGRM2PDE4ALMNAPDE5A
SCHEMBL11278686 0.73 PDE5A (0.38) TSHRGRM2PDE4ALMNAPDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4366156-A Antiallergic methods using diazaheterocyclopurines MEAD JOHNSON & COMPANY (US) 1982-12-28 — — US claimed
US-4298734-A PHOSPHODIESTERASE INHIBITORS, BRONCHODILATORS, PERIPHERAL VASODILATORS MEAD JOHNSON & COMPANY (US) 1981-11-03 — — US claimed
US-4642345-A BRONCHODILATOR AGENTS MEAD JOHNSON & COMPANY (US) 1987-02-10 — — US disclosed
US-4489078-A Diazaheterocyclopurines used as anti-broncho spasmatics and vasodilators MEAD JOHNSON & COMPANY (US) 1984-12-18 — — US disclosed
US-4404380-A BRONCHODILATORS, MEDIATOR RELEASE INHIBITORS, PHOSPHODIESTERASE INHIBITORS, AND VASODILATORS MEAD JOHNSON & COMPANY (US) 1983-09-13 — — US disclosed
US-4366156-A Antiallergic methods using diazaheterocyclopurines MEAD JOHNSON & COMPANY (US) 1982-12-28 — — US disclosed
US-4298734-A PHOSPHODIESTERASE INHIBITORS, BRONCHODILATORS, PERIPHERAL VASODILATORS MEAD JOHNSON & COMPANY (US) 1981-11-03 — — US disclosed
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