SCHEMBL14413552

SCHEMBL14413552

COc1ccccc1-c1c[nH]c2ncc(-c3ccc(F)c(C(=O)N4CCCN(CCN(C)C)CC4)c3)cc12

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 5/20 0.54
ABL1 P00519 1/20 0.49
KIT P10721 3/20 0.45
CAMKK2 Q96RR4 1/20 0.44
PARP1 P09874 3/20 0.42
BTK Q06187 1/20 0.42
ITK Q08881 1/20 0.42
AAK1 Q2M2I8 1/20 0.40
MAP3K11 Q16584 1/20 0.40
TNIK Q9UKE5 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL12763021 0.97 MAP4K1 (0.56) MAP4K1ABL1KITCAMKK2PARP1
SCHEMBL14209767 0.92 MAP4K1 (0.55) MAP4K1ABL1KITCAMKK2AAK1
SCHEMBL12763023 0.91 MAP4K1 (0.59) MAP4K1ABL1KITCAMKK2AAK1
SCHEMBL13341911 0.90 MAP4K1 (0.53) MAP4K1ABL1KITCAMKK2PARP1
SCHEMBL12763589 0.89 MAP4K1 (0.52) MAP4K1ABL1KITCAMKK2BTK
SCHEMBL13342297 0.89 MAP4K1 (0.57) MAP4K1ABL1KITCAMKK2BTK
SCHEMBL12763020 0.89 MAP4K1 (0.56) MAP4K1ABL1KITCAMKK2AAK1
SCHEMBL12763565 0.89 MAP4K1 (0.67) MAP4K1ABL1KITCAMKK2AAK1
SCHEMBL13342299 0.89 MAP4K1 (0.56) MAP4K1ABL1KITCAMKK2AAK1
SCHEMBL13342272 0.88 MAP4K1 (0.54) MAP4K1ABL1KITCAMKK2BTK

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-2007106236-A2 PYRROLO-PYRIDINE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-09-20 WO disclosed