SCHEMBL30353095

SCHEMBL30353095

Cc1cc(Oc2cc(C#N)ccc2-c2ccc(CCN)cn2)cc(N2CCOCC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.42
AKT1 P31749 5/20 0.42
MTOR P42345 5/20 0.42
LMNA P02545 2/20 0.41
CSF1R P07333 6/20 0.38
KIT P10721 3/20 0.38
TSHR P16473 2/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.36
DYRK3 O43781 1/20 0.36
CDK1 P06493 1/20 0.36
CDK2 P24941 1/20 0.36
GSK3B P49841 1/20 0.36
CDK7 P50613 1/20 0.36
CDK5 Q00535 1/20 0.36
CAMK2G Q13555 1/20 0.36
MARK2 Q7KZI7 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
SCHEMBL25554066 1.00 PIK3CA (0.42) PIK3CAAKT1MTORLMNACSF1R
SCHEMBL25554350 0.94 PIK3CA (0.43) PIK3CAAKT1MTORLMNACSF1R
SCHEMBL30353111 0.94 PIK3CA (0.43) PIK3CAAKT1MTORLMNACSF1R
SCHEMBL30353087 0.93 TSHR (0.42) PIK3CAAKT1MTORLMNACSF1R
SCHEMBL25554212 0.93 TSHR (0.42) PIK3CAAKT1MTORLMNACSF1R
SCHEMBL23949247 0.90 LMNA (0.42) PIK3CAAKT1MTORLMNACSF1R
SCHEMBL30256596 0.90 LMNA (0.42) PIK3CAAKT1MTORLMNACSF1R
SCHEMBL25554524 0.89 CDK7 (0.47) PIK3CAAKT1MTORLMNACSF1R
SCHEMBL25554357 0.89 PIK3CA (0.41) PIK3CAAKT1MTORLMNACSF1R
SCHEMBL30256664 0.89 PIK3CA (0.41) PIK3CAAKT1MTORLMNACSF1R

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