SCHEMBL31229348

SCHEMBL31229348

CCCCCc1ccc(-n2cnc3cnccc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.57
MKNK1 Q9BUB5 2/20 0.45
MKNK2 Q9HBH9 2/20 0.45
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TRPV1 Q8NER1 5/20 0.40
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
CYP17A1 P05093 1/20 0.39
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL1408250 0.75 FGFR1 (0.62) FGFR1MKNK1MKNK2TDP1CYP17A1
SCHEMBL5104309 0.74 FGFR1 (0.71) FGFR1MKNK1MKNK2CYP17A1ALDH1A1
SCHEMBL16036501 0.74 FGFR1 (0.71) FGFR1MKNK1MKNK2CYP17A1KMT2A
SCHEMBL10644638 0.74 FGFR1 (1.00) FGFR1TDP1CYP17A1ALDH1A1RAB9A
SCHEMBL1407945 0.73 FGFR1 (0.53) FGFR1MKNK1MKNK2TDP1CYP17A1
SCHEMBL31261249 0.73 FGFR1 (0.65) FGFR1MKNK1MKNK2CYP17A1KMT2A
SCHEMBL15924880 0.71 LMNA (0.50) FGFR1TDP1ALDH1A1SMN1; SMN2MEN1
SCHEMBL29229451 0.69 RAB9A (0.58) FAAHMGLLALDH1A1RAB9ASMN1; SMN2
SCHEMBL29547715 0.69 FGFR1 (0.61) FGFR1MKNK1MKNK2CYP17A1
SCHEMBL31509520 0.67 MGLL (0.54) TRPV1FAAHMGLLALDH1A1KDM4E

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-119219629-A N-benzyl imidazopyridine derivative and preparation method and application thereof 中国药科大学 2024-12-31 CN disclosed