SCHEMBL24007686

SCHEMBL24007686

Nc1cc(C(F)(F)C(F)(F)F)[nH]n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.45
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
TP53 P04637 2/20 0.34
MITF O75030 1/20 0.34
MEN1 O00255 2/20 0.33
USP2 O75604 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
XBP1 P17861 1/20 0.33
MAPK1 P28482 1/20 0.33
PDPK1 O15530 1/20 0.32
DYRK1A Q13627 1/20 0.31

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
SCHEMBL1770329 0.82 SMN1; SMN2 (0.46) KMT2AALDH1A1TP53MITFMEN1
SCHEMBL1833452 0.76 MCL1 (0.46) MCL1KMT2ATP53MEN1USP2
SCHEMBL923978 0.73 ALDH1A1 (0.48) KMT2AALDH1A1TP53MITFMEN1
SCHEMBL1120133 0.71 MCL1 (0.42) MCL1KMT2ATP53MEN1USP2
SCHEMBL22109258 0.70 ALDH1A1 (0.46) KMT2AALDH1A1TP53MITFMEN1
SCHEMBL24816445 0.65 ALDH1A1 (0.39) KMT2AALDH1A1TP53MITFMEN1
SCHEMBL24008018 0.65 MCL1 (0.31) MCL1
SCHEMBL13206417 0.65 ALOX15 (0.40) MCL1TP53SMN1; SMN2HPGDALOX15
SCHEMBL24007363 0.65 MCL1 (0.44) MCL1KMT2AALDH1A1TP53MEN1
SCHEMBL18343615 0.65 MCL1 (0.38) MCL1KMT2AALDH1A1TP53MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022140527-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. (US) 2022-06-30 WO disclosed
WO-2021226261-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. (US) 2021-11-11 WO disclosed