SCHEMBL22202128

SCHEMBL22202128

Cc1cnc(NCCCc2ccccc2)nc1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.70
HDAC6 Q9UBN7 2/20 0.50
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SIGMAR1 Q99720 2/20 0.48
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
TP53 P04637 1/20 0.46
CNR1 P21554 1/20 0.46
HTR7 P34969 1/20 0.46

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
SCHEMBL22191322 0.85 HPGD (0.72) HPGDHDAC6HDAC3HDAC1HDAC2
SCHEMBL15435182 0.83 HPGD (0.70) HPGDHDAC6HDAC3HDAC1HDAC2
SCHEMBL11565739 0.81 RAB9A (0.60) HPGDHDAC6HDAC1MEN1KMT2A
SCHEMBL19145368 0.80 VNN1 (0.57) HPGDHDAC6HDAC3HDAC1HDAC2
SCHEMBL10502959 0.79 HPGD (0.55) HPGDHDAC6HDAC3HDAC1HDAC2
SCHEMBL15399488 0.77 HPGD (0.60) HPGDHDAC6HDAC3HDAC1HDAC2
SCHEMBL11566177 0.76 RAB9A (0.59) HPGDHDAC6HDAC1KMT2ASIGMAR1
SCHEMBL27873802 0.76 HPGD (0.59) HPGDSIGMAR1
SCHEMBL11563635 0.75 RAB9A (0.58) HPGDHDAC6KMT2ASIGMAR1KDM4E
SCHEMBL10502861 0.75 HPGD (0.50) HPGDHDAC3HDAC1HDAC2SIGMAR1

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-2020142486-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2020-07-09 WO disclosed