SCHEMBL28995116

SCHEMBL28995116

Cc1nc(C)c2cc(N)ccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
LMNA P02545 3/20 0.46
POLB P06746 1/20 0.46
CASP6 P55212 1/20 0.46
NQO2 P16083 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 3/20 0.42
MPO P05164 3/20 0.41
CYP1A2 P05177 1/20 0.41
NUDT1 P36639 1/20 0.41
ACHE P22303 2/20 0.41
RAD52 P43351 1/20 0.40
PLAU P00749 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39
TLR9 Q9NR96 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL3951373 0.84 KDM4E (0.46) KDM4ELMNAPOLBCASP6NQO2
SCHEMBL11592944 0.81 KDM4E (0.43) KDM4ELMNAPOLBCASP6NQO2
SCHEMBL9861710 0.81 LMNA (0.43) KDM4ELMNAPOLBCASP6NQO2
SCHEMBL12501247 0.79 LMNA (0.54) KDM4ELMNANQO2SMN1; SMN2ALDH1A1
SCHEMBL12501269 0.78 MPO (0.58) KDM4EPOLBALDH1A1HSD17B10MPO
SCHEMBL1857081 0.76 ACHE (0.49) KDM4ELMNAPOLBCASP6NQO2
SCHEMBL27931468 0.76 KDM4E (0.46) KDM4ELMNAPOLBCASP6NQO2
SCHEMBL12501194 0.76 MPO (0.57) KDM4EMPOACHE
SCHEMBL12575811 0.76 MPO (0.57) KDM4ESMN1; SMN2ALDH1A1MPOCYP1A2
SCHEMBL31268127 0.76 MPO (0.57) KDM4ESMN1; SMN2ALDH1A1MPOCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116041341-A Quinazoline PAR4 antagonist and medical application thereof 中国药科大学 2023-05-02 CN disclosed