SCHEMBL4962099

SCHEMBL4962099

Cc1ccsc1CNC1=NC(=O)/C(=C/c2c[nH]c3ncccc23)S1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 8/20 0.52
KMT2A Q03164 2/20 0.40
CHEK1 O14757 3/20 0.38
HASPIN Q8TF76 4/20 0.37
CCNT1 O60563 2/20 0.37
CDK9 P50750 2/20 0.37
KDM4E B2RXH2 1/20 0.35
KDM6B O15054 1/20 0.35
KDM4A O75164 1/20 0.35
KDM5C P41229 1/20 0.35
KDM4D Q6B0I6 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PNP P00491 1/20 0.33
CHEK2 O96017 1/20 0.33
CDK1 P06493 1/20 0.33

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
SCHEMBL4932383 0.84 KMT2A (0.42) CDC7KMT2ACHEK1HASPINCCNT1
Hydrochloric Acid SCHEMBL4967648 0.83 KMT2A (0.41) CDC7KMT2ACHEK1HASPINCCNT1
SCHEMBL4933700 0.82 CDC7 (0.39) CDC7KMT2ACHEK1HASPINCCNT1
Hydrochloric Acid SCHEMBL5089673 0.82 ADORA2A (0.44) CDC7KMT2ACHEK1HASPINCCNT1
Hydrochloric Acid SCHEMBL5095245 0.82 ADORA2A (0.44) CDC7KMT2ACHEK1HASPINCCNT1
Hydrochloric Acid SCHEMBL5089678 0.82 ADORA2A (0.44) CDC7KMT2ACHEK1HASPINCCNT1
SCHEMBL4934014 0.81 KMT2A (0.40) CDC7KMT2ACHEK1HASPINCCNT1
SCHEMBL4928120 0.79 CHEK1 (0.41) CDC7KMT2ACHEK1HASPINCCNT1
Hydrochloric Acid SCHEMBL5095330 0.79 CDC7 (0.51) CDC7KMT2ACHEK1HASPINCCNT1
Hydrochloric Acid SCHEMBL5095324 0.79 CDC7 (0.51) CDC7KMT2ACHEK1HASPINCCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805175-B1 NOVEL AZAINDOLE THIAZOLINONES AS ANTI-CANCER AGENTS HOFFMANN LA ROCHE (CH) 2008-03-05 EP claimed
EP-1805175-B1 NOVEL AZAINDOLE THIAZOLINONES AS ANTI-CANCER AGENTS HOFFMANN LA ROCHE (CH) 2008-03-05 EP disclosed
US-7247727-B2 Azaindole thiazolinones HOFFMANN-LA ROCHE INC. (US) 2007-07-24 US disclosed
US-7247727-B2 Azaindole thiazolinones HOFFMANN-LA ROCHE INC. (US) 2007-07-24 US disclosed