SCHEMBL9533673

SCHEMBL9533673

CN(C)N1C2=NCCN2C(=O)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.54
▸ DNMT1 P26358 1/20 0.43
▸ RAD52 P43351 1/20 0.43
▸ UHRF1 Q96T88 1/20 0.43
▸ LMNA P02545 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ GAA P10253 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HDAC8 Q9BY41 2/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ HRH1 P35367 2/20 0.35
▸ DRD2 P14416 2/20 0.35
▸ HTR6 P50406 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ ADRA2A P08913 1/20 0.35

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
SCHEMBL11477847 0.82 TSHR (0.56) TSHRDNMT1RAD52UHRF1LMNA
SCHEMBL11852580 0.79 TSHR (0.54) TSHRDNMT1RAD52UHRF1LMNA
SCHEMBL11846561 0.79 TSHR (0.54) TSHRDNMT1RAD52UHRF1ALDH1A1
SCHEMBL2494160 0.78 TSHR (0.67) TSHRDNMT1RAD52UHRF1LMNA
SCHEMBL9533704 0.76 TSHR (0.51) TSHRDNMT1RAD52UHRF1LMNA
SCHEMBL11850067 0.75 TSHR (0.53) TSHRDNMT1RAD52UHRF1LMNA
SCHEMBL9532198 0.75 TSHR (0.53) TSHRDNMT1RAD52UHRF1LMNA
SCHEMBL11849995 0.75 TSHR (0.50) TSHRDNMT1RAD52UHRF1LMNA
SCHEMBL11842534 0.75 TSHR (0.50) TSHRDNMT1RAD52UHRF1LMNA
SCHEMBL10983242 0.75 TSHR (0.47) TSHRDNMT1RAD52UHRF1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0360261-B1 Substituted Imidazol[2,1-b] quinazolin-5(3H)-ones and related tricyclic compounds MERRELL DOW PHARMA (US) 1993-10-27 — — EP claimed
US-4871732-A Substituted imidazo(2,1-b)quinazolin-5(3H)-ones and related tricyclic compounds and use as bronchodilators MERRELL DOW PHARMACEUTICALS INC. (US) 1989-10-03 — — US claimed
EP-0360261-B1 Substituted Imidazol[2,1-b] quinazolin-5(3H)-ones and related tricyclic compounds MERRELL DOW PHARMA (US) 1993-10-27 — — EP disclosed
EP-0360261-A1 Substituted Imidazol[2,1-b] quinazolin-5(3H)-ones and related tricyclic compounds MERRELL DOW PHARMACEUTICALS INC. (US) 1990-03-28 — — EP disclosed
US-4871732-A Substituted imidazo(2,1-b)quinazolin-5(3H)-ones and related tricyclic compounds and use as bronchodilators MERRELL DOW PHARMACEUTICALS INC. (US) 1989-10-03 — — US disclosed
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