SCHEMBL23707456

SCHEMBL23707456

c1ccc2c(OC3CCNCC3)ncnc2c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.47
JAK3 P52333 2/20 0.47
CHRM3 P20309 2/20 0.45
SLC6A2 P23975 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
TSHR P16473 1/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
NMT1 P30419 1/20 0.43
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
EGFR P00533 1/20 0.40
ADRB2 P07550 1/20 0.40
NCF1 P14598 1/20 0.40
IRAK1 P51617 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40

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
Hydrochloric Acid SCHEMBL2797523 0.98 JAK3 (0.48) HRH1JAK3CHRM3SLC6A2L3MBTL1
SCHEMBL17209394 0.84 IRAK4 (0.54) HRH1JAK3L3MBTL1RAB9ANPC1
SCHEMBL634124 0.78 CYP1A2 (0.48) LMNACYP1A2CYP2C19EGFRNCF1
SCHEMBL8482284 0.77 L3MBTL1 (0.46) JAK3L3MBTL1RAB9ANPC1TSHR
SCHEMBL8482286 0.77 L3MBTL1 (0.46) JAK3L3MBTL1RAB9ANPC1TSHR
SCHEMBL17209403 0.76 IRAK4 (0.57) HRH1JAK3L3MBTL1LMNACYP2C19
SCHEMBL8487015 0.76 IRAK4 (0.43) JAK3L3MBTL1RAB9ANPC1TSHR
SCHEMBL5469724 0.76 ROCK1 (0.49) HRH1CHRM3SLC6A2NMT1IRAK4
SCHEMBL24089854 0.76 AR (0.49) HRH1SLC6A2NMT1ADRB2NCF1
Hydrochloric Acid SCHEMBL5476262 0.75 ROCK1 (0.48) HRH1CHRM3SLC6A2NMT1IRAK4

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
EP-3858813-A1 QUINOLONE DERIVATIVE HAVING INDOLEAMINE-2,3-DIOXYGENASE INHIBITED ACTIVITY Shenzhen Chipscreen Biosciences Co., Ltd. (CN) 2021-08-04 EP disclosed