SCHEMBL6979286

SCHEMBL6979286

Clc1nccc(Nc2ccc3c(c2)OCO3)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 3/20 0.55
CYP1A2 P05177 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
USP2 O75604 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
ALOX15 P16050 1/20 0.55
MAPK1 P28482 1/20 0.55
CYP2C19 P33261 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CLK1 P49759 2/20 0.53
DYRK1A Q13627 2/20 0.53
DYRK1B Q9Y463 2/20 0.53
CLK2 P49760 1/20 0.53
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
PLK1 P53350 1/20 0.47
MAPK9 P45984 1/20 0.47
MAPK10 P53779 1/20 0.47

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
SCHEMBL656388 0.91 RHOA (0.54) CLK4CYP1A2MEN1KMT2AUSP2
SCHEMBL23365319 0.76 CLK4 (0.49) CLK4CYP1A2MEN1KMT2AUSP2
SCHEMBL30306561 0.76 BRD4 (0.59) CLK4ALOX15HSD17B10CLK1DYRK1A
SCHEMBL17526199 0.76 BRD4 (0.59) CLK4ALOX15HSD17B10CLK1DYRK1A
SCHEMBL13326012 0.76 LMNA (0.62) CLK4MEN1KMT2ACLK1DYRK1A
SCHEMBL31484096 0.76 LMNA (0.43) CLK4MEN1KMT2AALOX15MAPK1
SCHEMBL656619 0.75 PLK1 (0.62) CLK4MEN1KMT2AMAPK1CLK1
SCHEMBL1171667 0.75 EPHB4 (0.69) EPHB4
SCHEMBL16660520 0.75 PLK1 (0.36) CLK4CYP1A2MEN1KMT2AUSP2
SCHEMBL30463408 0.75 CLK4 (0.57) CLK4CYP1A2MEN1KMT2AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0862560-B1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 2003-04-02 EP disclosed
US-6235746-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATIVE AGENT CELLTECH THERAPEUTICS, LIMITED (GB) 2001-05-22 US disclosed
US-5958935-A Substituted 2-anilinopyrimidines useful as protein kinase inhibitors CELLTECH THERAPEUTICS LIMITED (GB) 1999-09-28 US disclosed
EP-0862560-A1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1998-09-09 EP disclosed
WO-1997019065-A1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1997-05-29 WO disclosed