SCHEMBL22095488

SCHEMBL22095488

O=C(Nc1cccc(F)c1)c1cn(-c2ccccc2)nc1-c1cc[c]cc1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.70
KMT2A Q03164 6/20 0.70
AURKA O14965 7/20 0.67
TP53 P04637 1/20 0.67
MAPT P10636 4/20 0.67
KDM4E B2RXH2 3/20 0.67
ALDH1A1 P00352 3/20 0.67
LMNA P02545 2/20 0.67
RAB9A P51151 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.58
HSP90AA1 P07900 1/20 0.58
POLB P06746 1/20 0.57
HPGD P15428 1/20 0.57

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
SCHEMBL22095223 0.93 AURKA (0.77) MEN1KMT2AAURKATP53MAPT
SCHEMBL22095570 0.91 MEN1 (0.82) MEN1KMT2AAURKATP53MAPT
SCHEMBL23928595 0.89 MEN1 (0.73) MEN1KMT2AAURKATP53MAPT
SCHEMBL22095538 0.89 KDM4E (0.78) MEN1KMT2AAURKATP53MAPT
SCHEMBL22094961 0.89 AURKA (0.79) MEN1KMT2AAURKATP53MAPT
SCHEMBL22095056 0.88 AURKA (0.80) MEN1KMT2AAURKATP53MAPT
SCHEMBL22094958 0.88 MEN1 (0.71) MEN1KMT2AAURKATP53MAPT
SCHEMBL22095589 0.88 MEN1 (0.68) MEN1KMT2AAURKATP53MAPT
SCHEMBL22095643 0.87 MEN1 (0.70) MEN1KMT2AAURKATP53MAPT
SCHEMBL22095167 0.87 MEN1 (0.72) MEN1KMT2AAURKATP53MAPT

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-2020123855-A1 INHIBITOR COMPOUNDS FOR MALE CONTRACEPTION UNIVERSITY OF WASHINGTON (US) 2020-06-18 WO disclosed