SCHEMBL13746302

SCHEMBL13746302

CC1CN[C@H](C)CN1Cc1ccc(N)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
SIGMAR1 Q99720 5/20 0.50
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.38
GBA1 P04062 2/20 0.38
FLT3 P36888 1/20 0.36
TYRO3 Q06418 1/20 0.36
MERTK Q12866 1/20 0.36
GAS6 Q14393 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
SCHEMBL3401749 1.00 ALDH1A1 (0.51) ALDH1A1SIGMAR1LMNAMAPTGBA1
SCHEMBL14188698 0.86 SIGMAR1 (0.51) ALDH1A1SIGMAR1LMNAMAPTGBA1
SCHEMBL10504025 0.86 SIGMAR1 (0.51) ALDH1A1SIGMAR1MAPTFLT3TYRO3
SCHEMBL15292046 0.84 SIGMAR1 (0.50) ALDH1A1SIGMAR1MAPTFLT3TYRO3
SCHEMBL3165725 0.84 SIGMAR1 (0.56) ALDH1A1SIGMAR1MAPT
SCHEMBL15080728 0.84 SIGMAR1 (0.50) ALDH1A1SIGMAR1MAPTFLT3TYRO3
SCHEMBL5058871 0.84 SIGMAR1 (0.56) ALDH1A1SIGMAR1MAPT
SCHEMBL14401346 0.84 SIGMAR1 (0.56) ALDH1A1SIGMAR1MAPT
SCHEMBL4678046 0.84 SIGMAR1 (0.56) ALDH1A1SIGMAR1MAPT
SCHEMBL5060895 0.84 SIGMAR1 (0.56) ALDH1A1SIGMAR1MAPT

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-2009098236-A1 PYRROLO [2, 3-D] PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-08-13 WO disclosed