SCHEMBL30863357

SCHEMBL30863357

CC1(C)CCc2c(-c3cc4ccc(C(=O)N5CCCCC5)cc4[nH]3)n[nH]c2C1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 4/20 0.54
▸ PIP5K1C O60331 10/20 0.43
▸ CDK5 Q00535 1/20 0.40
▸ CDK5R1 Q15078 1/20 0.40
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CNR1 P21554 1/20 0.37
▸ RIPK1 Q13546 1/20 0.37
▸ MET P08581 1/20 0.36
▸ HPGD P15428 1/20 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
SCHEMBL12028510 0.93 ITK (0.48) ITKPIP5K1CNPC1RAB9AGFER
SCHEMBL24670928 0.92 ITK (0.53) ITKPIP5K1CRIPK1MET
SCHEMBL12027720 0.92 ITK (0.53) ITKPIP5K1CCDK5CDK5R1NPC1
SCHEMBL29990522 0.92 ITK (0.53) ITKPIP5K1CRIPK1MET
SCHEMBL12028506 0.92 ITK (0.49) ITKPIP5K1CNPC1RAB9AGFER
SCHEMBL12027721 0.91 ITK (0.62) ITKPIP5K1CCNR1RIPK1HPGD
SCHEMBL12027722 0.90 ITK (0.52) ITKPIP5K1C
SCHEMBL29989984 0.88 ITK (0.51) ITKPIP5K1C
SCHEMBL24671251 0.88 ITK (0.51) ITKPIP5K1C
SCHEMBL24671204 0.87 ITK (0.49) ITKPIP5K1C

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-117916231-A Compounds for inhibiting or degrading target proteins, compositions comprising the same, methods of making and methods of using the same 纽力克斯治疗公司 2024-04-19 — — CN disclosed
Send feedback