SCHEMBL29490199

SCHEMBL29490199

Cc1nc(Cl)c2ccc(F)cc2n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.43
ACHE P22303 3/20 0.41
PKM P14618 1/20 0.40
KMT2A Q03164 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MEN1 O00255 1/20 0.38
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
PDE10A Q9Y233 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NR4A2 P43354 1/20 0.35
ABL1 P00519 1/20 0.35
BCHE P06276 3/20 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
SCHEMBL856384 1.00 MPO (0.43) MPOACHEPKMKMT2ARXFP1
SCHEMBL30014038 0.81 ACHE (0.42) MPOACHEKMT2AMEN1MAPT
SCHEMBL1994310 0.81 ACHE (0.42) MPOACHEKMT2AMEN1MAPT
SCHEMBL14970172 0.81 MPO (0.57) MPOACHEPKMKMT2AMEN1
SCHEMBL31391615 0.78 MPO (0.43) MPOACHEPKMKMT2AAURKA
SCHEMBL5402128 0.78 MPO (0.43) MPOACHERXFP1PDE10APOLB
SCHEMBL29767527 0.78 MPO (0.46) MPOACHEPDE10AMAPTABL1
SCHEMBL12481107 0.78 ACHE (0.42) MPOACHEKMT2ARXFP1MAPT
SCHEMBL30294150 0.78 MPO (0.46) MPOACHEPKMKMT2AAURKA
SCHEMBL2777857 0.78 MPO (0.46) MPOACHEPDE10AMAPTABL1

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
EP-4329755-A1 EXPANDED DOSAGE REGIMENS FOR INTEGRIN INHIBITORS Pliant Therapeutics, Inc. (US) 2024-03-06 EP disclosed
WO-2022232838-A1 EXPANDED DOSAGE REGIMENS FOR INTEGRIN INHIBITORS PLIANT THERAPEUTICS, INC. (US) 2022-11-03 WO disclosed
EP-3976009-A2 BAX INHIBITORS AND USES THEREOF Case Western Reserve University (US) 2022-04-06 EP disclosed