SCHEMBL13890604

SCHEMBL13890604

CBc1cc(C)c(-n2cc(C)c3c(N4CCC(CC#N)C4)nc(C)nc32)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.35
ABL1 P00519 2/20 0.35
KDR P35968 2/20 0.35
STAT3 P40763 2/20 0.35
GSK3B P49841 2/20 0.35
AURKB Q96GD4 2/20 0.35
CRHR1 P34998 3/20 0.33
FPR3 P25089 2/20 0.33
TSPO P30536 2/20 0.33
TMEM97 Q5BJF2 2/20 0.33

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
SCHEMBL1637176 0.89 JAK2 (0.36) JAK2ABL1KDRSTAT3GSK3B
SCHEMBL13890685 0.84 CRHR1 (0.34) CRHR1FPR3TSPOTMEM97
SCHEMBL1636109 0.84 JAK2 (0.39) JAK2ABL1KDRSTAT3GSK3B
SCHEMBL1638533 0.84 JAK2 (0.39) JAK2ABL1KDRSTAT3GSK3B
SCHEMBL13890637 0.83 FPR3 (0.33) CRHR1FPR3TSPOTMEM97
SCHEMBL1637913 0.83 CRHR1 (0.33) JAK2ABL1KDRSTAT3GSK3B
SCHEMBL1638091 0.82 JAK2 (0.38) JAK2ABL1KDRSTAT3GSK3B
SCHEMBL14277046 0.82 MAP2K7 (0.36) CRHR1FPR3TSPOTMEM97
SCHEMBL13890642 0.81 CRHR1 (0.34) CRHR1FPR3TSPOTMEM97
SCHEMBL1636299 0.79 JAK2 (0.39) JAK2ABL1KDRSTAT3GSK3B

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
EP-1787992-B1 Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO LTD (JP) 2009-04-29 EP disclosed