SCHEMBL3469449

SCHEMBL3469449

N#Cc1ccc2cncnn12

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 2/20 0.31
CYP19A1 P11511 3/20 0.31
CYP3A4 P08684 1/20 0.31
CYP11B1 P15538 1/20 0.31
TSHR P16473 1/20 0.31
CYP11B2 P19099 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL30855414 0.73
SCHEMBL15409919 0.69 EGLN2 (0.34) EGLN2
SCHEMBL16542598 0.68 AR (0.32)
SCHEMBL31463746 0.66 EGLN2 (0.34) EGLN2
SCHEMBL31350312 0.65
SCHEMBL24198342 0.63 EGLN2 (0.36) EGLN2
SCHEMBL25473240 0.63 GRM5 (0.33)
SCHEMBL18078323 0.63 KDM4E (0.37)
SCHEMBL18048260 0.63 AR (0.33)
SCHEMBL16060117 0.63 LMNA (0.34) CYP3A4CYP2C19

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-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO disclosed