SCHEMBL1013153

SCHEMBL1013153

CC(C)(C)c1ccc(-c2nc(N)nc(N)c2-c2ccc3ncsc3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.48
TGFBR1 P36897 8/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NTRK1 P04629 1/20 0.39
NTRK2 Q16620 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
BMPR1A P36894 1/20 0.38
SMAD2 Q15796 1/20 0.38
VRK1 Q99986 1/20 0.38
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
LCK P06239 1/20 0.36
KIT P10721 1/20 0.36
SRC P12931 1/20 0.36
KDR P35968 1/20 0.36
APP P05067 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
Hydrochloric Acid SCHEMBL1011935 0.99 DYRK1A (0.47) DYRK1ATGFBR1NPC1RAB9ANTRK1
SCHEMBL3910228 0.79 DYRK1A (0.41) DYRK1ATGFBR1NTRK1NTRK2ADORA2A
Hydrochloric Acid SCHEMBL4532456 0.79 DYRK1A (0.54) DYRK1ATGFBR1NPC1RAB9ABMPR1A
SCHEMBL761993 0.73 MEN1 (0.52) DYRK1ATGFBR1NPC1RAB9ANTRK1
SCHEMBL12954688 0.72 TRPV1 (0.44) DYRK1ANTRK1NTRK2KDR
SCHEMBL22270818 0.68 ADORA2B (0.50) DYRK1ATGFBR1NPC1RAB9AADORA2A
SCHEMBL30945399 0.68 DYRK1A (0.56) DYRK1ATGFBR1BMPR1ASMAD2VRK1
SCHEMBL18589865 0.68 FFAR1 (0.45) DYRK1ATGFBR1NTRK1NTRK2MEN1
SCHEMBL27631450 0.68 NPC1 (0.54) NPC1RAB9AADORA2AKMT2ADHFR
SCHEMBL6473464 0.68 ADORA2A (0.41) DYRK1ATGFBR1NPC1RAB9ANTRK1

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
EP-1542692-B1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AMGEN INC (US) 2011-01-05 EP claimed