SCHEMBL24809147

SCHEMBL24809147

Cn1cc(-c2nn(C3CCCCO3)c3ccc(Br)cc23)cn1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AXL P30530 6/20 0.46
CREBBP Q92793 7/20 0.38
BRD4 O60885 4/20 0.38
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
TYRO3 Q06418 5/20 0.36
KDM5B Q9UGL1 1/20 0.36
AURKB Q96GD4 2/20 0.36
FLT3 P36888 1/20 0.36
SYK P43405 1/20 0.36
MERTK Q12866 3/20 0.35
AURKA O14965 1/20 0.35

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
SCHEMBL17608663 0.84 RXRA (0.44) AXLCREBBPRXRARXRBRXRG
SCHEMBL21463409 0.84 RXFP1 (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL20786558 0.82 CYP4F2 (0.43) CYP4F2CYP4A11
SCHEMBL14688722 0.82 PIM1 (0.45) AXLCREBBPBRD4CYP4F2CYP4A11
SCHEMBL5372228 0.82 CYP4F2 (0.38) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL20764887 0.80 CYP4F2 (0.39) CYP4F2CYP4A11
SCHEMBL15795733 0.79 TYRO3 (0.43) AXLTYRO3MERTK
SCHEMBL18281904 0.79 GAA (0.41) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL24268653 0.79 MAPT (0.37) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30182911 0.78 MAPT (0.38) CYP4F2CYP4A11RXRARXRBRXRG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022271840-A1 SELECTIVE INDAZOLE LRRK2 INHIBITORS AND METHODS FOR USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2022-12-29 WO claimed
WO-2022271840-A1 SELECTIVE INDAZOLE LRRK2 INHIBITORS AND METHODS FOR USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2022-12-29 WO disclosed
WO-2022271840-A1 SELECTIVE INDAZOLE LRRK2 INHIBITORS AND METHODS FOR USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2022-12-29 WO disclosed