SCHEMBL11547311

SCHEMBL11547311

CCCCOc1ncc(-c2ccccc2)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.50
▸ CDC7 O00311 1/20 0.50
▸ PLK4 O00444 1/20 0.50
▸ CHEK1 O14757 1/20 0.50
▸ CHUK O15111 1/20 0.50
▸ PDPK1 O15530 1/20 0.50
▸ DYRK3 O43781 1/20 0.50
▸ ROCK2 O75116 1/20 0.50
▸ PRKD3 O94806 1/20 0.50
▸ MAP4K4 O95819 1/20 0.50
▸ PAK4 O96013 1/20 0.50
▸ NTRK1 P04629 1/20 0.50
▸ PRKCG P05129 1/20 0.50
▸ INSR P06213 1/20 0.50
▸ LCK P06239 1/20 0.50
▸ FYN P06241 1/20 0.50
▸ CDK1 P06493 1/20 0.50
▸ FES P07332 1/20 0.50
▸ CSF1R P07333 1/20 0.50
▸ LYN P07948 1/20 0.50

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
SCHEMBL12967947 0.79 TP53 (0.47) MAPK1MAPTTP53CYP2C9CYP2C19
SCHEMBL11546004 0.75 PSMB5 (0.43) MAPTSOAT1ALDH1A1GABRPGABRD
SCHEMBL7283175 0.73 MAPT (0.51) MAPK1MAPTTP53CYP2C9CYP2C19
SCHEMBL29150809 0.73 SCN9A (0.44) MAPTTP53CYP2C19CYP2D6KDM4E
SCHEMBL29150813 0.73 KDM4E (0.44) MAPK1MAPTTP53CYP2C9CYP2C19
SCHEMBL10706756 0.70 ADRB2 (0.65) MAPK1TP53CYP2C9CYP2C19CYP19A1
SCHEMBL27670043 0.70 LTA4H (0.63) MAPK1MAPTCYP2C9CYP2C19CYP2D6
SCHEMBL4270583 0.70 CNR1 (0.50) MAPK1MAPTTP53CYP2C9CYP2D6
SCHEMBL15473241 0.70 ALDH1A1 (0.42) MAPK1MAPTTP53CYP2C9CYP2C19
SCHEMBL29150859 0.70 CYP11B2 (0.46) MAPTTP53GABRG2GABRB3GABRA5

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-4175191-A 4-Phenyl isoquinolines SANDOZ, INC. (US) 1979-11-20 — — US disclosed
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