SCHEMBL5332352

SCHEMBL5332352

COc1cc(Nc2nc(Br)cc3sc(C)cc23)cc(N(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 3/20 0.40
RAB9A P51151 2/20 0.39
EPAS1 Q99814 2/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
EGFR P00533 5/20 0.33
KDM1A O60341 2/20 0.33
LCK P06239 1/20 0.33
KDR P35968 2/20 0.33
PDGFRB P09619 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DYRK1A Q13627 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
IGF1R P08069 1/20 0.31

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
SCHEMBL5371558 0.81 CLK1 (0.47) CLK1RAB9AEPAS1MEN1NPC1
SCHEMBL5312141 0.71 FBP1 (0.35) CLK1EPAS1MEN1KMT2AEGFR
SCHEMBL5335568 0.70 EGFR (0.46) CLK1NPC1EGFRLCKMAPT
SCHEMBL5468583 0.66 RAB9A (0.67) RAB9AMEN1NPC1KMT2AEGFR
SCHEMBL5314126 0.65 CSNK2A1 (0.39) EPAS1EGFRKDM1AKDRPDGFRB
Hydrochloric Acid SCHEMBL5332537 0.65 NPC1 (0.43) CLK1RAB9AEPAS1MEN1NPC1
SCHEMBL5467523 0.65 RAB9A (0.76) CLK1RAB9AMEN1NPC1KMT2A
SCHEMBL5312123 0.64 EGFR (0.49) CLK1RAB9AMEN1NPC1KMT2A
Hydrochloric Acid SCHEMBL5334353 0.63 EGFR (0.48) CLK1RAB9AMEN1NPC1KMT2A
SCHEMBL5330964 0.61 CSNK2A1 (0.35) CLK1RAB9AEPAS1MEN1NPC1

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
WO-2007056215-A2 N-ARYL-THIENOPYRIMIDIN-4-AMINES AND THE USE THEREOF CYTOVIA, INC. (US) 2007-05-18 WO disclosed