SCHEMBL9544964

SCHEMBL9544964

Cn1c2ccccc2c2c3c(c4c5ccccc5n(CCCN)c4c21)C(=O)NC3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYLK Q15746 8/20 1.00
ROCK2 O75116 2/20 0.73
KDR P35968 2/20 0.73
JAK3 P52333 2/20 0.73
PLK4 O00444 1/20 0.73
AURKA O14965 1/20 0.73
PDPK1 O15530 1/20 0.73
JAK2 O60674 1/20 0.73
PRKD3 O94806 1/20 0.73
PAK4 O96013 1/20 0.73
CHEK2 O96017 1/20 0.73
EGFR P00533 1/20 0.73
ERBB2 P04626 1/20 0.73
PRKCG P05129 1/20 0.73
PRKCB P05771 1/20 0.73
INSR P06213 1/20 0.73
LCK P06239 1/20 0.73
CDK1 P06493 1/20 0.73
CSF1R P07333 1/20 0.73
LYN P07948 1/20 0.73

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
SCHEMBL9544754 1.00 MYLK (1.00) MYLKROCK2KDRJAK3PLK4
SCHEMBL14040741 0.94 MYLK (0.88) MYLKROCK2KDRJAK3PLK4
SCHEMBL9544956 0.88 MYLK (0.78) MYLKROCK2KDRJAK3PLK4
SCHEMBL9544982 0.88 MYLK (0.78) MYLKROCK2KDRJAK3PLK4
SCHEMBL9545348 0.88 MYLK (1.00) MYLKROCK2KDRJAK3PLK4
SCHEMBL9544970 0.88 MYLK (1.00) MYLKROCK2KDRJAK3PLK4
SCHEMBL9200017 0.86 MYLK (0.74) MYLKROCK2KDRJAK3PLK4
SCHEMBL8122531 0.84 MYLK (0.72) MYLKPRKD3PRKCGPRKCBPRKCA
SCHEMBL8953712 0.84 MYLK (1.00) MYLKROCK2KDRJAK3PLK4
Go-6976 SCHEMBL29357848 0.84 MYLK (1.00) MYLKROCK2KDRJAK3PLK4

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
WO-1993024490-A1 USE OF INDOLOCARBAZOLS IN AIDS TREATMENT Gödecke Aktiengesellschaft (DE) 1993-12-09 WO claimed
WO-1993024490-A1 USE OF INDOLOCARBAZOLS IN AIDS TREATMENT Gödecke Aktiengesellschaft (DE) 1993-12-09 WO disclosed