SCHEMBL29651998

SCHEMBL29651998

CCCC(CC)c1cn2cccnc2n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.44
ALDH1A1 P00352 11/20 0.44
HPGD P15428 6/20 0.44
PDE5A O76074 1/20 0.43
POLB P06746 3/20 0.42
RAB9A P51151 9/20 0.41
NPC1 O15118 5/20 0.41
GAA P10253 5/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 3/20 0.41
GLA P06280 4/20 0.41
HSD17B10 Q99714 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL29651982 0.94 KDM4E (0.46) KDM4EALDH1A1HPGDPDE5APOLB
SCHEMBL24983895 0.80 KDM4E (0.47) KDM4EALDH1A1HPGDPDE5APOLB
SCHEMBL16373611 0.77 KDM4E (0.44) KDM4EALDH1A1HPGDPDE5APOLB
SCHEMBL12196880 0.76 ALDH1A1 (0.49) KDM4EALDH1A1HPGDPOLBRAB9A
SCHEMBL29651995 0.75
SCHEMBL20653275 0.75 NPC1 (0.43) KDM4EALDH1A1POLBRAB9ANPC1
SCHEMBL19514979 0.75 KDM4E (0.51) KDM4EALDH1A1HPGDPDE5APOLB
SCHEMBL21186362 0.74 KDM4E (0.48) KDM4EALDH1A1HPGDPDE5ARAB9A
SCHEMBL17788455 0.74 TP53 (0.42) KDM4EALDH1A1HPGDPDE5APOLB
SCHEMBL22276485 0.72 KDM4E (0.52) KDM4EALDH1A1HPGDPDE5APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116867781-A Imidazo [1,2-a ] pyridine derivatives as IRAK4 inhibitors and their use in the treatment of diseases 渤健马萨诸塞州股份有限公司 2023-10-10 CN disclosed
CN-114245796-A Imidazo [1,2-a ] pyridinyl derivatives and their use in the treatment of disease 比奥根MA公司 2022-03-25 CN disclosed