SCHEMBL27166388

SCHEMBL27166388

O=C(O)c1ccn(-c2ccc(C3OCCO3)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
KMT2A Q03164 1/20 0.38
CYP2C9 P11712 1/20 0.38
HDAC4 P56524 1/20 0.37
USP30 Q70CQ3 2/20 0.35

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
SCHEMBL4009591 0.78 MAOA (0.43)
SCHEMBL14790223 0.78 NPC1 (0.44) KCNH2TAAR1KMT2ACYP2C9HDAC4
SCHEMBL31031032 0.76 KMT2A (0.45) KMT2ACYP2C9
SCHEMBL1063920 0.76 CYP2C9 (0.61) KMT2ACYP2C9USP30
SCHEMBL24409108 0.75 KMT2A (0.34) KMT2A
SCHEMBL14150735 0.74 KMT2A (0.64) KMT2ACYP2C9
SCHEMBL15754423 0.74 RPA1 (0.50) KMT2ACYP2C9
SCHEMBL27082306 0.73 MGLL (0.39) USP30
SCHEMBL1816062 0.73 CYP2C9 (0.45) KMT2ACYP2C9USP30
SCHEMBL25123042 0.72 ALKBH2 (0.60)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117715904-A CDK2 degrading agents and uses thereof 凯麦拉医疗公司 2024-03-15 CN disclosed
EP-4334307-A1 CDK2 DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2024-03-13 EP disclosed