SCHEMBL17739338

SCHEMBL17739338

CC1(C)CN(c2cc(Cl)cc(C(N)NN)c2N)CCN1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 1/20 0.33
HDAC1 Q13547 1/20 0.31
CDK1 P06493 1/20 0.30
CDK4 P11802 1/20 0.30
CCNB1 P14635 1/20 0.30
CCNA2 P20248 1/20 0.30
CCND1 P24385 1/20 0.30
CDK2 P24941 1/20 0.30
CCNA1 P78396 1/20 0.30

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
SCHEMBL17738776 0.81 ADRB1 (0.41)
SCHEMBL5569781 0.73 NR1H4 (0.41) LATS1HDAC1
SCHEMBL17738256 0.70 LATS1 (0.35) LATS1HDAC1
SCHEMBL17739677 0.69 LATS1 (0.34) LATS1HDAC1
SCHEMBL17738267 0.68 ADRB1 (0.38)
SCHEMBL17738234 0.66 LATS1 (0.34) LATS1
SCHEMBL31687242 0.65 IDO1 (0.44) LATS1CDK1CDK4CCNB1CCNA2
SCHEMBL17731749 0.65 IDO1 (0.44) LATS1CDK1CDK4CCNB1CCNA2
SCHEMBL6023940 0.63 ADRA2C (0.49) LATS1HDAC1
SCHEMBL17513734 0.62 ADRB1 (0.55) CDK1CDK4CCNB1CCNA2CCND1

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
WO-2016071293-A2 PHARMACEUTICAL COMPOUND IOMET PHARMA LTD (GB) 2016-05-12 WO disclosed