SCHEMBL20784111

SCHEMBL20784111

Nc1ccc2c(ccn2-c2ccccn2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
ROCK1 Q13464 7/20 0.48
CDC7 O00311 3/20 0.48
CDK2 P24941 2/20 0.48
PRKCI P41743 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.42
POLB P06746 1/20 0.41
BRPF1 P55201 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL31735499 1.00 MAPT (0.48) MAPTROCK1CDC7CDK2PRKCI
SCHEMBL31735756 0.82 PRKCI (0.49) MAPTROCK1CDC7CDK2PRKCI
SCHEMBL4219644 0.81 ROCK1 (0.61) MAPTROCK1CDC7CDK2POLB
SCHEMBL29388217 0.81 MAPT (0.48) MAPTROCK1CDC7CDK2POLB
SCHEMBL19329708 0.81 ROCK1 (0.61) MAPTROCK1CDC7CDK2POLB
SCHEMBL23051698 0.81 MAPT (0.48) MAPTROCK1CDC7CDK2POLB
SCHEMBL29388268 0.81 ROCK1 (0.47) MAPTROCK1CDC7CDK2POLB
SCHEMBL29388244 0.81 ROCK1 (0.61) MAPTROCK1CDC7CDK2POLB
SCHEMBL29388009 0.81 ROCK1 (0.61) MAPTROCK1CDC7CDK2POLB
SCHEMBL28307170 0.81 ROCK1 (0.47) MAPTROCK1CDC7CDK2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025245484-A1 FOXN1 ACTIVATORS THYMOFOX INC. (US) 2025-11-27 WO disclosed
EP-3604306-A1 MACROCYCLIC DERIVATIVE OF PYRAZOL[3,4-D]PYRIMIDIN-3-ONE, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai de Novo Pharmatech Co., Ltd. (CN) 2020-02-05 EP disclosed
WO-2019037678-A1 PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE THEREOF 上海迪诺医药科技有限公司 2019-02-28 WO disclosed