SCHEMBL29372633

SCHEMBL29372633

FC(F)c1ccc2nc(-c3cccc(Br)n3)cn2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 11/20 0.36
▸ NPC1 O15118 10/20 0.36
▸ APP P05067 4/20 0.36
▸ PAX8 Q06710 2/20 0.36
▸ SMN1; SMN2 Q16637 6/20 0.36
▸ KDM4E B2RXH2 6/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ ALDH1A1 P00352 7/20 0.36
▸ ALDH1A3 P47895 4/20 0.36
▸ ALDH1A2 O94788 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ NFKB1 P19838 2/20 0.35
▸ NFKB2 Q00653 2/20 0.35
▸ RELA Q04206 2/20 0.35
▸ POLB P06746 3/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 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
SCHEMBL29372842 0.74 APP (0.52) RAB9ANPC1APPPAX8SMN1; SMN2
SCHEMBL29373996 0.74 SCN10A (0.40) RAB9ANPC1APPPAX8SMN1; SMN2
SCHEMBL29372978 0.74 RAB9A (0.59) RAB9ANPC1SMN1; SMN2KDM4EKMT2A
SCHEMBL24231634 0.74 FLT3 (0.46) —
SCHEMBL29370489 0.74 FLT3 (0.46) —
SCHEMBL29370077 0.73 RAB9A (0.35) RAB9ANPC1APPPAX8SMN1; SMN2
SCHEMBL30638526 0.72 HTR7 (0.33) —
SCHEMBL29373656 0.70 BACE1 (0.50) RAB9ANPC1SMN1; SMN2KDM4EKMT2A
SCHEMBL29683133 0.68 TGFBR1 (0.33) RAB9ANPC1SMN1; SMN2KDM4ENFKB1
SCHEMBL29539234 0.68 CCR1 (0.46) RAB9ASMN1; SMN2KDM4EKMT2AMEN1

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-2022026935-A1 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2022-02-03 — — WO disclosed
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