SCHEMBL28043558

SCHEMBL28043558

Brc1ccnc(NCCc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 3/20 0.58
CDK8 P49336 3/20 0.58
HTR7 P34969 5/20 0.56
ACHE P22303 4/20 0.51
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
GLA P06280 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
RCE1 Q9Y256 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
NOS2 P35228 1/20 0.46
MKNK1 Q9BUB5 1/20 0.45

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
SCHEMBL31240510 0.91 HPGD (0.55) CCNCCDK8HTR7ACHESMN1; SMN2
SCHEMBL31240645 0.87 MKNK1 (0.51) CCNCCDK8HTR7ACHEMEN1
SCHEMBL31240429 0.84 HTT (0.54) CCNCCDK8HTR7MEN1KMT2A
SCHEMBL31240715 0.84 POLB (0.49) CCNCCDK8HTR7MEN1KMT2A
SCHEMBL31240590 0.84 HTR7 (0.54) CCNCCDK8HTR7MEN1KMT2A
SCHEMBL31240525 0.84 HDAC3 (0.49) CCNCCDK8HTR7MEN1KMT2A
SCHEMBL16041099 0.83 NOS2 (0.66) ACHEMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL31240752 0.81 CYP1A2 (0.69) CCNCCDK8KDM4EALDH1A1LMNA
SCHEMBL31240707 0.81 CYP1A2 (0.58) KMT2ASMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL31240770 0.81 GPR84 (0.44) CCNCCDK8HTR7MEN1KMT2A

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
CN-105246890-A Pyrrolo[2, 3-b]pyridine cdk9 kinase inhibitors ABBVIE INC 2016-01-13 CN disclosed