SCHEMBL30587478

SCHEMBL30587478

Fc1cccc(F)c1-n1ncc2cnc(Cl)nc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
MAPT P10636 2/20 0.35
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
MAP4K1 Q92918 3/20 0.33
RPS6KA5 O75582 1/20 0.33
MAPK14 Q16539 6/20 0.33
PIN1 Q13526 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
PDE7A Q13946 1/20 0.32
KMT2A Q03164 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
SCHEMBL18367152 1.00 PIM1 (0.36) PIM1PIM3PIM2MAPTABL1
SCHEMBL18376127 0.78 IRAK4 (0.35) MAP4K1MAPK14
SCHEMBL30587534 0.77 KMT2A (0.35) MAPTMAPK14SMN1; SMN2PDE7AKMT2A
SCHEMBL18367151 0.77 KMT2A (0.35) MAPTMAPK14SMN1; SMN2PDE7AKMT2A
SCHEMBL18376126 0.77 MAPK14 (0.41) MAP4K1MAPK14MAPKAPK2MAPK8MAPK10
SCHEMBL343580 0.76 KDM4E (0.56) MAPTSMN1; SMN2KMT2A
SCHEMBL18367153 0.75 MAPK14 (0.34) MAP4K1MAPK14
SCHEMBL18367156 0.73 CYP11B1 (0.39) MAPTMAP4K1MAPK14MAPKAPK2KMT2A
SCHEMBL30587515 0.73 CYP11B1 (0.39) MAPTMAP4K1MAPK14MAPKAPK2KMT2A
SCHEMBL29387304 0.72 IRAK4 (0.42) PIM1PIM3PIM2PIN1

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
CN-111269221-B Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2023-09-26 CN disclosed