SCHEMBL9686198

SCHEMBL9686198

CCn1ccc2nc(N3CCN(c4ncc5cc(OC)c(OC)cc5n4)CC3)ncc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
KIT P10721 6/20 0.40
USP19 O94966 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL9686141 0.87
SCHEMBL9685451 0.85 ADRA2A (0.57)
SCHEMBL9686858 0.81 HTR3A (0.55) TSHRUSP19MEN1KMT2A
Hydrochloric Acid SCHEMBL9686615 0.79 ADRA1A (0.49)
SCHEMBL9685229 0.79 USP19 (0.51) TSHRUSP19MEN1KMT2A
SCHEMBL9684556 0.77 LMNA (0.51) TSHRMEN1KMT2A
SCHEMBL2921304 0.71 ALDH1A1 (0.60) TSHR
SCHEMBL8500248 0.70 MAPT (0.53) TSHRMEN1KMT2A
SCHEMBL3949243 0.70 TNF (0.64) MEN1KMT2A
SCHEMBL8810668 0.69 LMNA (0.56) TSHR

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
JP-62056488-A None JP disclosed
EP-0188094-B1 QUINAZOLINE DERIVATIVES AND ANTIHYPERTENSIVE PREPARATIONS CONTAINING SAME AS EFFECTIVE COMPONENTS MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-03-18 EP disclosed
US-4734418-A Quinazoline compounds and antihypertensives MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-03-29 US disclosed
JP-S6256488-A QUINAZOLINE DERIVATIVE AND PHARMACEUTICAL USE MITSUI PETROCHEM IND LTD 1987-03-12 JP disclosed
EP-0188094-A2 Quinazoline derivatives and antihypertensive preparations containing same as effective components MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1986-07-23 EP disclosed