SCHEMBL8487289

SCHEMBL8487289

Clc1ncccc1-c1cncs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
MAPT P10636 4/20 0.43
PKM P14618 1/20 0.43
DYRK1A Q13627 2/20 0.41
DYRK2 Q92630 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
NFKB1 P19838 1/20 0.40
CASP3 P42574 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
PIM1 P11309 3/20 0.36
IDO1 P14902 1/20 0.36
BDKRB2 P30411 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3900914 0.79 CHEK1 (0.43) DYRK1ADYRK2DYRK1BPIM1IDO1
SCHEMBL17643659 0.76 IDO1 (0.42) NPC1RAB9ADYRK1APOLBIDO1
SCHEMBL15637899 0.75 KCNA5 (0.45) MAPTDYRK1ADYRK2DYRK1BPIM1
SCHEMBL15638356 0.73 CD38 (0.46) DYRK1ADYRK2DYRK1BPIM1KMT2A
SCHEMBL26259995 0.72 TBXAS1 (0.44) NPC1DYRK1ADYRK2DYRK1BPIM1
SCHEMBL30761165 0.72 CHEK1 (0.45) MAPTDYRK1ADYRK2DYRK1BIDO1
SCHEMBL30761163 0.72 CHEK1 (0.45) MAPTDYRK1ADYRK2DYRK1BIDO1
SCHEMBL28019354 0.72 DYRK1A (0.40) NPC1RAB9AMAPTDYRK1ADYRK2
SCHEMBL28019355 0.72 CYP2A6 (0.41) NPC1RAB9APKMDYRK1ADYRK2
SCHEMBL16646852 0.72 KDM4E (0.44) NPC1RAB9ADYRK1ADYRK2DYRK1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106536507-B 2, 3-disubstituted pyridine compounds as TGF- β inhibitors and methods of use thereof 里格尔药品股份有限公司 2020-04-07 CN disclosed
EP-2903978-A1 GDF-8 INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2015-08-12 EP disclosed
WO-2015025172-A1 5-ARYL-THIAZOL-2-YL-AMINE COMPOUNDS AND THEIR THERAPEUTIC USE CHARLES MARK DAVID (GB) 2015-02-26 WO disclosed
WO-2015025172-A1 5-ARYL-THIAZOL-2-YL-AMINE COMPOUNDS AND THEIR THERAPEUTIC USE CHARLES MARK DAVID (GB) 2015-02-26 WO disclosed
WO-2014055955-A1 GDF-8 INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2014-04-10 WO disclosed
US-5919779-A VIRICIDE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1999-07-06 US disclosed