SCHEMBL20011909

SCHEMBL20011909

N=C(N)c1ccnc(F)c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.44
PRSS1 P07477 6/20 0.41
PRSS2 P07478 3/20 0.41
PRSS3 P35030 3/20 0.41
IDO1 P14902 1/20 0.41
F2 P00734 4/20 0.39
PLG P00747 2/20 0.39
PLAU P00749 2/20 0.39
C1S P09871 1/20 0.39
KLKB1 P03952 1/20 0.39
KLK1 P06870 1/20 0.39
F10 P00742 2/20 0.39
F12 P00748 2/20 0.38
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
PKM P14618 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 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
Hydrochloric Acid SCHEMBL19995251 0.98 PRSS1 (0.42) LOXL2PRSS1PRSS2PRSS3IDO1
SCHEMBL2996754 0.79 PARP1 (0.48) LOXL2F7F3
SCHEMBL20270479 0.79 CYP1A2 (0.46) LOXL2PRSS1PRSS2PRSS3F2
Hydrochloric Acid SCHEMBL29533953 0.77 CYP1A2 (0.45) PRSS1PRSS2PRSS3F2PLG
Hydrochloric Acid SCHEMBL9792756 0.77 PRSS1 (0.50) PRSS1PRSS2PRSS3F2PLG
SCHEMBL1159737 0.77 F12 (0.44) LOXL2PRSS1PRSS2PRSS3F2
SCHEMBL31656123 0.76 TAS1R3 (0.39) LOXL2IDO1
SCHEMBL3554899 0.75 PRSS1 (0.50) PRSS1PRSS2PRSS3F2PLG
SCHEMBL2435961 0.75 RECQL (0.44) LOXL2PRSS1PRSS2PRSS3IDO1
SCHEMBL29027023 0.75 LOXL2 (0.49) LOXL2IDO1KLKB1F10

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-3515903-B1 PREPARATION AND USES OF PYRIMIDINONE DERIVATIVES CANCER RESEARCH TECH LTD (GB) 2020-10-21 EP disclosed
WO-2018055402-A1 PREPARATION AND USES OF PYRIMIDINONE DERIVATIVES CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-03-29 WO disclosed