SCHEMBL5177430

SCHEMBL5177430

S=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
CASP1 P29466 1/20 0.50
CYP2C19 P33261 1/20 0.50
RECQL P46063 1/20 0.50
SLC8B1 Q6J4K2 1/20 0.50
GAA P10253 3/20 0.45
ALOX12 P18054 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TRPM5 Q9NZQ8 1/20 0.39
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
CACNB4 O00305 1/20 0.37

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
SCHEMBL5696272 0.86 CHRM1 (0.42) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL5205016 0.84 ALDH1A1 (0.46) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL28355878 0.82 MAPT (0.56) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL10371606 0.76 MAPT (0.44) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL5696173 0.75 DHFR (0.50) MAPTTP53TSHRALOX12SMN1; SMN2
SCHEMBL5178013 0.74 KMT2A (0.55) MAPTCYP1A2CYP2C9TSHRCASP1
SCHEMBL13981274 0.72 TSHR (0.52) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL5177579 0.72 ALDH1A1 (0.46) MAPTGAAALOX12TDP1SMN1; SMN2
SCHEMBL5435436 0.70 MAPT (0.56) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL5176914 0.69 LMNA (0.41) MAPTTP53GAATDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1807402-A1 QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AS ANTIMITOTICS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAID DERIVATIVES EMBL (DE) 2007-07-18 EP disclosed
WO-2006048308-A1 QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AS ANTIMITOTICS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAID DERIVATIVES EMBL (DE) 2006-05-11 WO disclosed