SCHEMBL5331353

SCHEMBL5331353

CN1CCN(Cc2cnc3c(Cl)c(Nc4ccc(Br)cc4Cl)c(C(=O)O)cn23)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
CSF1R P07333 4/20 0.38
MAP2K1 Q02750 3/20 0.37
SMC2 O95347 1/20 0.37
EGFR P00533 1/20 0.37
CSNK2A2 P19784 1/20 0.37
MAP2K2 P36507 1/20 0.37
SMC1A Q14683 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
Q6ZSR9 Q6ZSR9 1/20 0.37
BMP2K Q9NSY1 1/20 0.37
KMT2A Q03164 2/20 0.36
FTO Q9C0B1 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CDK2 P24941 1/20 0.36
FLT3 P36888 1/20 0.36

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
SCHEMBL3968996 0.91 MEN1 (0.45) CSF1RMAP2K1SMC2EGFRCSNK2A2
SCHEMBL3973358 0.86 MAP2K1 (0.53) POLBMAP2K1SMC2EGFRCSNK2A2
SCHEMBL15088158 0.85 MEN1 (0.44) CSF1RMAP2K1SMC2EGFRCSNK2A2
SCHEMBL3978143 0.81 MAP2K1 (0.41) MAP2K1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL3974144 0.81 MAP2K1 (0.40) MAP2K1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL13842002 0.80 MAP2K1 (0.50) MAP2K1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL5406502 0.79 MAP2K1 (0.49) MAP2K1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL3974790 0.77 MAP2K1 (0.34) MAP2K1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL3974792 0.77 MAP2K1 (0.34) MAP2K1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL3978828 0.77 CSF1R (0.43) CSF1RMAP2K1SMC2EGFRCSNK2A2

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-2007022529-A2 METHOD OF TREATING INFLAMMATORY DISEASES ARRAY BIOPHARMA INC. (US) 2007-02-22 WO disclosed