SCHEMBL30353082

SCHEMBL30353082

Cc1cc(Oc2cc(C#N)ccc2-c2ncc(CN)cn2)cc(N2CCOCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
PIK3CA P42336 7/20 0.43
AKT1 P31749 5/20 0.43
MTOR P42345 5/20 0.43
PIK3CB P42338 4/20 0.38
PIK3CD O00329 1/20 0.38
MAPT P10636 1/20 0.37
CSF1R P07333 1/20 0.37
KIT P10721 1/20 0.37
TSHR P16473 2/20 0.37
HTT P42858 2/20 0.37
CRHBP P24387 2/20 0.37
CRHR2 Q13324 2/20 0.37
PKM P14618 1/20 0.37
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.36
KDM4E B2RXH2 2/20 0.36
PDE4D Q08499 1/20 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
SCHEMBL25057826 1.00 LMNA (0.43) LMNAPIK3CAAKT1MTORPIK3CB
SCHEMBL30256596 0.93 LMNA (0.42) LMNAPIK3CAAKT1MTORPIK3CB
SCHEMBL23949247 0.93 LMNA (0.42) LMNAPIK3CAAKT1MTORPIK3CB
SCHEMBL25554638 0.90 PIK3CA (0.42) LMNAPIK3CAAKT1MTORPIK3CB
SCHEMBL25554350 0.90 PIK3CA (0.43) LMNAPIK3CAAKT1MTORPIK3CB
SCHEMBL25058046 0.90 LMNA (0.42) LMNAPIK3CAAKT1MTORPIK3CB
SCHEMBL30353111 0.90 PIK3CA (0.43) LMNAPIK3CAAKT1MTORPIK3CB
SCHEMBL25058043 0.89 LMNA (0.46) LMNAPIK3CAAKT1MTORPIK3CB
SCHEMBL25554508 0.89 LMNA (0.41) LMNAPIK3CAAKT1MTORPIK3CB
SCHEMBL25058654 0.88 PIK3CA (0.41) LMNAPIK3CAAKT1MTORPIK3CB

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-115996910-A Aryl or heteroaryl derivatives 帝人制药株式会社 2023-04-21 CN claimed
CN-115996910-A Aryl or heteroaryl derivatives 帝人制药株式会社 2023-04-21 CN disclosed