SCHEMBL28560878

SCHEMBL28560878

Cc1nn2cc(Br)cnc2c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.42
SMN1; SMN2 Q16637 8/20 0.41
RAB9A P51151 7/20 0.41
MAPT P10636 6/20 0.41
NPC1 O15118 4/20 0.41
KMT2A Q03164 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 5/20 0.40
TDP1 Q9NUW8 5/20 0.40
LMNA P02545 2/20 0.38
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
STAT3 P40763 1/20 0.36
STAT1 P42224 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36

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
SCHEMBL31717021 0.81 SMN1; SMN2 (0.43) MAOBSMN1; SMN2RAB9AMAPTNPC1
SCHEMBL21752440 0.81 SMN1; SMN2 (0.58) MAOBSMN1; SMN2RAB9AMAPTNPC1
SCHEMBL31716649 0.79 SMN1; SMN2 (0.41) MAOBSMN1; SMN2RAB9AMAPTNPC1
SCHEMBL21752735 0.79 TDP1 (0.43) MAOBSMN1; SMN2RAB9AMAPTNPC1
SCHEMBL5055395 0.75 POLB (0.40) MAOBSMN1; SMN2RAB9AMAPTNPC1
SCHEMBL18578663 0.75 PIK3CG (0.54) MAOBSMN1; SMN2RAB9AMAPTNPC1
SCHEMBL29707245 0.69 FFAR1 (0.38) SMN1; SMN2RAB9AMAPTNPC1L3MBTL1
SCHEMBL18717549 0.68 POLB (0.46) MAOBSMN1; SMN2RAB9AMAPTNPC1
SCHEMBL13960990 0.68 KDR (0.37) MAOBSMN1; SMN2RAB9AMAPTNPC1
SCHEMBL28560844 0.67 SMN1; SMN2 (0.43) SMN1; SMN2RAB9AMAPTNPC1KMT2A

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
CN-112574211-B Heterocyclic kinase inhibitors 山东轩竹医药科技有限公司 2022-06-14 CN disclosed
CN-112574211-A Heterocyclic kinase inhibitors 山东轩竹医药科技有限公司 2021-03-30 CN disclosed