SCHEMBL25819488

SCHEMBL25819488

CCCCc1nc2c(NC(C)(C)C)nc3cc(C4=CCN(OC(=O)c5ccccc5)CC4)sc3c2n1CC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
KIT P10721 2/20 0.34
P2RX3 P56373 1/20 0.33
TP53 P04637 5/20 0.33
TLR7 Q9NYK1 5/20 0.33
LMNA P02545 7/20 0.32
THRB P10828 2/20 0.32
RORC P51449 1/20 0.32
NOD2 Q9HC29 1/20 0.32
NOD1 Q9Y239 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 3/20 0.31

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
SCHEMBL31270874 0.88 KIT (0.36) KITTP53LMNARORCTDP1
SCHEMBL25819223 0.88 KIT (0.36) KITTP53LMNARORCTDP1
SCHEMBL31270695 0.88 KIT (0.38) KDM4EPKMKITP2RX3TP53
SCHEMBL31025946 0.84 KIT (0.39) KITTLR7
SCHEMBL25257828 0.84 KIT (0.39) KITTLR7
SCHEMBL31270806 0.84 GPR119 (0.34) KITTLR7RORCNOD2NOD1
SCHEMBL25256681 0.84 GPR119 (0.34) KITTLR7RORCNOD2NOD1
SCHEMBL25301919 0.83 KIT (0.37) KITTP53TLR7LMNATHRB
SCHEMBL31270679 0.83 KIT (0.37) KITTP53TLR7LMNATHRB
SCHEMBL29263585 0.82 TLR7 (0.33) TLR7

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
WO-2023125121-A1 TRICYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2023-07-06 WO disclosed