SCHEMBL5231489

SCHEMBL5231489

Cc1cccc(C(=O)Cc2ccnc3cc(Cl)ccc23)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 2/20 0.45
RXFP1 Q9HBX9 2/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
IDE P14735 1/20 0.41
NR4A2 P43354 2/20 0.40
THRB P10828 1/20 0.40
TGFBR1 P36897 1/20 0.40
MAPK14 Q16539 1/20 0.40
CLK1 P49759 1/20 0.40
SOS2 Q07890 1/20 0.40
TLR8 Q9NR97 1/20 0.39
CYP1A2 P05177 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
JAK2 O60674 1/20 0.39
ABL1 P00519 1/20 0.39
NTRK1 P04629 1/20 0.39

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
SCHEMBL4490632 0.86 P2RX7 (0.39) POLBKMT2AKDM4ELMNASMN1; SMN2
SCHEMBL6671176 0.86 NPC1 (0.40) POLBKMT2ASMN1; SMN2ACVR1CLK4
SCHEMBL5235795 0.84 KDR (0.45) LMNATGFBR1TLR8CYP1A2RET
SCHEMBL5235225 0.84 CYP1A2 (0.49) SMN1; SMN2TGFBR1MAPK14CYP1A2PTGDR2
SCHEMBL29959459 0.84 CYP1A2 (0.49) SMN1; SMN2TGFBR1MAPK14CYP1A2PTGDR2
SCHEMBL5234890 0.83 P2RX7 (0.39) POLBKMT2AKDM4ESMN1; SMN2CYP1A2
SCHEMBL5238328 0.83 THRB (0.44) KMT2AKDM4ELMNASMN1; SMN2THRB
SCHEMBL5236990 0.83 GSK3A (0.44) TGFBR1PTGDR2ABL1GSK3AGSK3B
SCHEMBL5236574 0.83 TSHR (0.48) PRNPRXFP1POLBKMT2AKDM4E
SCHEMBL5231308 0.81 SRC (0.42) TGFBR1ABL1

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-1543001-B1 PYRAZOLOPYRIDINE DERIVATIVES AS TGF BETA SIGNAL TRANSDUCTION INHIBITORS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2007-08-15 EP disclosed
EP-1397364-B1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS LILLY CO ELI (US) 2007-07-25 EP disclosed