SCHEMBL8169588

SCHEMBL8169588

O=C(O)c1ccc(-c2nc(NCc3ccc(F)cc3)c3c4c(sc3n2)CCCC4)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 12/20 0.59
PTGS2 P35354 4/20 0.59
MAPT P10636 3/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
TP53 P04637 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
RAB9A P51151 1/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
PRKCZ Q05513 1/20 0.52

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
SCHEMBL8179988 0.93 PTGS2 (0.65) PRKCIPTGS2MAPTKMT2AMEN1
SCHEMBL8184514 0.90 PTGS2 (0.58) PRKCIPTGS2MAPTKMT2AMEN1
SCHEMBL8178683 0.87 PTGS2 (0.55) PRKCIPTGS2MAPTKMT2AMEN1
SCHEMBL5779918 0.86 PRKCI (0.74) PRKCIPRKCZ
SCHEMBL8178943 0.85 PTGS2 (0.53) PRKCIPTGS2MAPTKMT2AMEN1
SCHEMBL7015745 0.85 PTGS2 (0.53) PRKCIPTGS2MAPTKMT2AMEN1
SCHEMBL8177997 0.84 PTGS2 (0.61) PRKCIPTGS2MAPTKMT2AMEN1
SCHEMBL8180415 0.83 PTGS2 (0.63) PRKCIPTGS2MAPTKMT2AMEN1
SCHEMBL7015020 0.82 PTGS2 (0.51) PRKCIPTGS2MAPTKMT2AMEN1
SCHEMBL8184718 0.81 FLT3 (0.51) PRKCIPTGS2MAPTKMT2AMEN1

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
US-6130223-A Thienopyrimidine with phosphodiesterase V inhibiting effect MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-10-10 US disclosed