SCHEMBL6337994

SCHEMBL6337994

CN1CCN(c2nn(-c3ccc(F)cc3)cc2-c2ccncc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MELK Q14680 3/20 0.51
SRC P12931 1/20 0.51
BRAF P15056 1/20 0.51
KDR P35968 1/20 0.51
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
MAPK14 Q16539 4/20 0.46
MAPK11 Q15759 3/20 0.46
CSNK1D P48730 2/20 0.46
MAPK13 O15264 1/20 0.46
CSNK1E P49674 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPT P10636 1/20 0.42
RPS6KA3 P51812 1/20 0.42
RPS6KA2 Q15349 1/20 0.42
RPS6KA1 Q15418 1/20 0.42
PTGS2 P35354 1/20 0.41
DRD2 P14416 1/20 0.41

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
SCHEMBL7248577 0.87 MAPK14 (0.52) MELKKMT2AMAPK14MAPK11CSNK1D
SCHEMBL5829487 0.87 ALDH1A1 (0.51) MELKBRAFKMT2AMAPK14MAPK11
SCHEMBL6338216 0.79 GRIA1 (0.47) SRCBRAFKDRMAPT
SCHEMBL5829519 0.72 CYP17A1 (0.51) MEN1KMT2AMAPK14MAPK11MAPT
SCHEMBL7250809 0.70 AKR1C3 (0.46) BRAFMEN1KMT2AMAPTDRD2
SCHEMBL5829385 0.69 SRC (0.54) SRCBRAFKDRMEN1KMT2A
SCHEMBL5463406 0.69 ROCK2 (0.44) MELKBRAFMAPK14MAPK11CSNK1D
SCHEMBL28337260 0.69 MELK (0.69) MELKMEN1KMT2AMAPTRPS6KA3
SCHEMBL5255877 0.68 MAPK14 (0.78) MAPK14MAPK11MAPK13MAPK12
SCHEMBL1375430 0.68 LMNA (0.73) MEN1KMT2AMAPTRPS6KA3

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-6979686-B1 Substituted pyrazoles as p38 kinase inhibitors PHARMACIA CORPORATION (US) 2005-12-27 US disclosed