SCHEMBL30061331

SCHEMBL30061331

Cc1ccc2[nH]c(-c3n[nH]cc3N)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.45
MAPT P10636 7/20 0.45
ALDH1A1 P00352 7/20 0.45
NPC1 O15118 7/20 0.45
SMN1; SMN2 Q16637 7/20 0.45
KDM4E B2RXH2 6/20 0.45
GAA P10253 4/20 0.45
HPGD P15428 6/20 0.41
PKM P14618 4/20 0.41
TP53 P04637 3/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GFER P55789 1/20 0.41
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL28500913 1.00 RAB9A (0.45) RAB9AMAPTALDH1A1NPC1SMN1; SMN2
SCHEMBL5952765 0.83 NPC1 (0.48) RAB9AMAPTALDH1A1NPC1SMN1; SMN2
SCHEMBL5951395 0.83 ALDH1A1 (0.40) RAB9AMAPTALDH1A1NPC1SMN1; SMN2
SCHEMBL28498751 0.83 SMN1; SMN2 (0.38) RAB9AMAPTALDH1A1NPC1SMN1; SMN2
SCHEMBL30061152 0.83 SMN1; SMN2 (0.38) RAB9AMAPTALDH1A1NPC1SMN1; SMN2
SCHEMBL5952198 0.82 FABP6 (0.51) RAB9AMAPTNPC1KDM4EMEN1
SCHEMBL28496270 0.82 FGFR1 (0.46) ALDH1A1HPGDMETAP2FGFR1KDR
SCHEMBL30059191 0.82 APAF1 (0.40) RAB9AMAPTALDH1A1NPC1SMN1; SMN2
SCHEMBL30061285 0.82 FGFR1 (0.46) ALDH1A1HPGDMETAP2FGFR1KDR
SCHEMBL6283876 0.81 NT5E (0.35) RAB9AMAPTALDH1A1NPC1SMN1; SMN2

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-112047932-B Pyrazole spleen tyrosine kinase inhibitor and preparation method and application thereof 中国药科大学 2022-11-08 CN disclosed