SCHEMBL807388

SCHEMBL807388

Cc1ccc(CN2CCC[C@@H](F)C2)s1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
KMT2A Q03164 3/20 0.45
RAB9A P51151 1/20 0.45
POLB P06746 2/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.40
MAPK1 P28482 1/20 0.40
HRH3 Q9Y5N1 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
JAK3 P52333 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL15084308 0.84 LMNA (0.51) LMNAKMT2ARAB9APOLBGAA
SCHEMBL15081948 0.80 KMT2A (0.49) LMNAKMT2ARAB9APOLBGAA
SCHEMBL12203995 0.79 KDM4E (0.51) LMNAKMT2ARAB9APOLBGAA
SCHEMBL22946992 0.79 KMT2A (0.47) LMNAKMT2ARAB9APOLBGAA
SCHEMBL14049765 0.77 KDM4E (0.54) LMNAKMT2ARAB9APOLBGAA
SCHEMBL21127876 0.76 POLB (0.51) LMNAKMT2ARAB9APOLBGAA
SCHEMBL82397 0.74 HRH3 (0.53) LMNAPOLBALDH1A1HRH3
SCHEMBL14625789 0.73 ALDH1A1 (0.54) LMNAKMT2ARAB9APOLBGAA
SCHEMBL6371390 0.73 CDC7 (0.41) LMNAKMT2APOLBGAAKDM4E
SCHEMBL807393 0.73 ALDH1A1 (0.43) KMT2APOLBKDM4EALDH1A1MEN1

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-2012036997-A1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS SCHERING CORPORATION (US) 2012-03-22 WO disclosed