Sugi Predict

Sugi Predict / Compounds / SCHEMBL7980295

SCHEMBL7980295

SCHEMBL7980295

Cc1cc(Nc2nc3ccccc3n3cncc23)ccc1C(C)C

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 18/20 0.62
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ LYN P07948 1/20 0.47
▸ BTK Q06187 1/20 0.47

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
SCHEMBL7979883 0.84 LCK (0.69) LCKNPC1KMT2A
SCHEMBL7969675 0.84 LCK (0.69) LCKNPC1RAB9AKMT2ALYN
SCHEMBL7969632 0.81 LCK (0.80) LCK
SCHEMBL7983559 0.80 LCK (0.71) LCK
SCHEMBL4931040 0.78 LCK (1.00) LCK
SCHEMBL7980320 0.78 LCK (0.74) LCK
SCHEMBL7980313 0.77 LCK (0.70) LCK
SCHEMBL7969485 0.76 LCK (1.00) LCK
SCHEMBL7970845 0.76 LCK (0.80) LCK
SCHEMBL7969645 0.76 LCK (0.84) LCK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235740-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATION AGENTS BRISTOL-MYERS SQUIBB CO. 2001-05-22 — — US claimed
WO-1999009845-A1 IMIDAZOQUINOXALINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-04 — — WO claimed
US-6235740-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATION AGENTS BRISTOL-MYERS SQUIBB CO. 2001-05-22 — — US disclosed