SCHEMBL28880924

SCHEMBL28880924

C1=Cc2ccccc2NC(c2ccccn2)=C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 8/20 0.41
LMNA P02545 4/20 0.41
CCR1 P32246 2/20 0.41
CCR5 P51681 2/20 0.41
CCR8 P51685 2/20 0.41
METAP1 P53582 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
BLM P54132 1/20 0.41
HIF1A Q16665 1/20 0.41
DOHH Q9BU89 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
NPC1 O15118 6/20 0.37
RAB9A P51151 6/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
TP53 P04637 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
ALOX15 P16050 3/20 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
SCHEMBL1248688 0.81 GAA (0.40) MAPTGAA
SCHEMBL6010290 0.75 GAA (0.52) MAPTGAACYP1A2NPC1SMN1; SMN2
SCHEMBL28401077 0.75 GAA (0.40) MAPTGAA
SCHEMBL3732226 0.74 GAA (0.50) MAPTGAALMNASMN1; SMN2
SCHEMBL9286080 0.74 KMT2A (0.41) MAPTGAAKDM4E
SCHEMBL15630460 0.70 MAPT (0.50) MAPTGAAKDM4ELMNACCR1
SCHEMBL28744109 0.69 GAA (0.44) MAPTGAA
SCHEMBL11774509 0.69 KDM4E (0.42) MAPTGAAKDM4ELMNACCR1
SCHEMBL5094762 0.67 MAPT (0.61) MAPTGAACYP1A2POLBRAB9A
SCHEMBL7414784 0.66 MAPT (0.54) MAPTGAARAB9ASMN1; 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-115135628-A Compounds for fast and efficient click release 泰克沃尔科斯制药有限公司 2022-09-30 CN disclosed