SCHEMBL28905296

SCHEMBL28905296

O=C1c2ccccc2C(=O)N1CCCCOc1ccc(-c2c[nH]c3ncc(Cl)cc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.55
MAPT P10636 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.46
TP53 P04637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
DRD2 P14416 1/20 0.44
BACE1 P56817 3/20 0.44
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41

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
SCHEMBL28509618 0.97 JAK2 (0.56) JAK2MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL28509463 0.79 MAP3K11 (0.48) MAPT
SCHEMBL28905289 0.78 MAP4K1 (0.58)
SCHEMBL28513553 0.76 MAP3K11 (0.49) MAPT
SCHEMBL28506202 0.73 JAK2 (0.62) JAK2
SCHEMBL8483472 0.73 RAB9A (0.74) MAPTRAB9ASMN1; SMN2TDP1HPGD
SCHEMBL10682756 0.72 RAB9A (0.72) MAPTRAB9ASMN1; SMN2TDP1HPGD
SCHEMBL10675533 0.72 RAB9A (0.72) MAPTRAB9ASMN1; SMN2TDP1HPGD
SCHEMBL10683824 0.72 RAB9A (0.72) MAPTRAB9ASMN1; SMN2TDP1HPGD
SCHEMBL10675006 0.72 RAB9A (0.72) MAPTRAB9ASMN1; SMN2TDP1HPGD

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-112243439-A Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2021-01-19 CN disclosed