SCHEMBL8602102

SCHEMBL8602102

O=C(Nc1c(Cl)cccc1Cl)c1cccc2c1nc(C(F)(F)F)n2Cc1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 4/20 0.44
DCTPP1 Q9H773 1/20 0.43
PDE4B Q07343 2/20 0.41
PDE4A P27815 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
JAK2 O60674 3/20 0.40
PIK3C2B O00750 1/20 0.39
KDR P35968 3/20 0.38
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
LCK P06239 1/20 0.37
FLT1 P17948 2/20 0.37
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
CSF1R P07333 1/20 0.37
PDGFRB P09619 1/20 0.37
KIT P10721 1/20 0.37
FLT4 P35916 1/20 0.37
JAK1 P23458 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
SCHEMBL8602720 0.87 PDE4B (0.44) DCTPP1PDE4BPDE4APDE4CPDE4D
Hydrochloric Acid SCHEMBL8599164 0.85 ALDH1A1 (0.40) DCTPP1PDE4BPDE4APDE4CPDE4D
SCHEMBL8598543 0.85 PDE4B (0.43) TYK2DCTPP1PDE4BPDE4APDE4C
SCHEMBL8598985 0.84 PDE4B (0.42) TYK2DCTPP1PDE4BPDE4APDE4C
SCHEMBL8597750 0.83 DCTPP1 (0.48) DCTPP1PIK3C2BBRD4CREBBP
SCHEMBL8595606 0.83 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DPIK3C2B
SCHEMBL8602351 0.82 TYK2 (0.48) TYK2DCTPP1JAK2KDRBRD4
SCHEMBL8600336 0.80 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DPIK3C2B
SCHEMBL8601221 0.80 HPGD (0.46) PDE4BPDE4APDE4CPDE4D
SCHEMBL8600059 0.79 PTGES (0.40) PDE4BPDE4APDE4CPDE4DPIK3C2B

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-0863881-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-09-16 EP disclosed
WO-1997010219-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-20 WO disclosed