SCHEMBL9622720

SCHEMBL9622720

CN(C)CCN1C(=O)c2cc(-c3ccccc3)c3[nH]c4ccc(O)cc4c3c2C1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 14/20 0.58
CHEK1 O14757 13/20 0.58
SRC P12931 2/20 0.48
MEN1 O00255 1/20 0.44
PRKD3 O94806 1/20 0.44
PRKCG P05129 1/20 0.44
PRKCB P05771 1/20 0.44
CDK4 P11802 1/20 0.44
PRKCA P17252 1/20 0.44
PRKCH P24723 1/20 0.44
PRKCI P41743 1/20 0.44
PRKCE Q02156 1/20 0.44
KMT2A Q03164 1/20 0.44
PRKCQ Q04759 1/20 0.44
PRKCZ Q05513 1/20 0.44
PRKCD Q05655 1/20 0.44
PRKD1 Q15139 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TNIK Q9UKE5 1/20 0.44
MYLK Q15746 1/20 0.43

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
SCHEMBL29377476 0.89 CHEK1 (0.50) WEE1CHEK1CDK4PRKCAMYLK
SCHEMBL9623107 0.86 MYLK (0.46) WEE1CHEK1SRCMYLKROCK2
SCHEMBL29351301 0.86 MYLK (0.46) WEE1CHEK1SRCMYLKROCK2
SCHEMBL9623259 0.85 CHEK1 (0.43) WEE1CHEK1SRCPRKCAMYLK
Hydrochloric Acid SCHEMBL9623312 0.85 MYLK (0.45) WEE1CHEK1SRCMYLKROCK2
SCHEMBL9623136 0.85 MYLK (0.45) WEE1CHEK1SRCMYLKROCK2
SCHEMBL9622994 0.83 ROCK2 (0.45) WEE1CHEK1MYLKROCK2
SCHEMBL9622489 0.83 MYLK (0.45) WEE1CHEK1SRCPRKCAMYLK
SCHEMBL9623315 0.82 MYLK (0.45) WEE1CHEK1SRCPRKCAPRKCQ
SCHEMBL9623320 0.82 CHEK1 (0.44) WEE1CHEK1SRCPRKCAMYLK

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
US-5166204-A ISOINDOLE DERIVATIVES AND SALTS THEREOF AND ANTITUMOR AGENT COMPRISING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 1992-11-24 US claimed