SCHEMBL6961899

SCHEMBL6961899

Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3ccc(OC(=O)Cc4cccs4)cc3C2C)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 1/20 0.36
POLB P06746 2/20 0.34
PDGFRB P09619 2/20 0.33
PDGFRA P16234 2/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
IKBKB O14920 1/20 0.31
RAB9A P51151 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
PYGM P11217 1/20 0.31
TP53 P04637 2/20 0.30
MAPT P10636 1/20 0.30
MARK3 P27448 1/20 0.30
EGFR P00533 1/20 0.30
FYN P06241 1/20 0.30
FGFR1 P11362 1/20 0.30

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
SCHEMBL6967118 0.94 KCNH3 (0.36) KCNH3POLBPDGFRBPDGFRAKMT2A
SCHEMBL6963615 0.87 KMT2A (0.35) PDGFRBPDGFRAKMT2AMEN1BLM
SCHEMBL6962677 0.86 SLC2A1 (0.40) KCNH3PDGFRBPDGFRAKMT2ANPSR1
SCHEMBL6960659 0.85 POLB (0.38) KCNH3POLBPDGFRBPDGFRAKMT2A
SCHEMBL6966508 0.85 KMT2A (0.37) KCNH3PDGFRBPDGFRAKMT2AMEN1
SCHEMBL6955926 0.85 P2RX3 (0.34) PDGFRBPDGFRAKMT2AMEN1SMN1; SMN2
SCHEMBL6963612 0.85 KMT2A (0.35) KCNH3PDGFRBPDGFRAKMT2ASMN1; SMN2
Thiophene SCHEMBL6961908 0.85 KMT2A (0.34) KCNH3PDGFRBPDGFRAKMT2AMEN1
Hydrochloric Acid SCHEMBL6960858 0.84 ATM (0.35) KMT2AMEN1SMN1; SMN2RAB9AMAPT
SCHEMBL6955632 0.83 EGFR (0.33) KCNH3KMT2ACDK2TP53EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015444-B1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP LTD (KR) 2003-05-28 EP disclosed
US-6352993-B1 ANTIULCER AGENTS YUHAN CORPORATION (KR) 2002-03-05 US disclosed