SCHEMBL29543833

SCHEMBL29543833

CN(C)/C=C/C(=O)c1cnc2c(Br)cccn12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ RAB9A P51151 6/20 0.42
▸ LMNA P02545 3/20 0.42
▸ RECQL P46063 2/20 0.42
▸ MAPT P10636 10/20 0.41
▸ NPC1 O15118 5/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ HTT P42858 4/20 0.39
▸ GAA P10253 4/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ ALOX12 P18054 1/20 0.36

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
SCHEMBL30011244 0.86 TDP1 (0.50) ALDH1A1KMT2AKDM4EPOLBRAB9A
SCHEMBL3546695 0.78 NPC1 (0.49) ALDH1A1KMT2APOLBRAB9ALMNA
SCHEMBL3546699 0.78 NPC1 (0.49) ALDH1A1KMT2APOLBRAB9ALMNA
SCHEMBL29543790 0.77 BAZ2B (0.39) ALDH1A1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL23245937 0.74 RAB9A (0.49) ALDH1A1KMT2AKDM4EPOLBRAB9A
SCHEMBL23245988 0.74 RAB9A (0.49) ALDH1A1KMT2AKDM4EPOLBRAB9A
SCHEMBL23245940 0.74 RAB9A (0.49) ALDH1A1KMT2AKDM4EPOLBRAB9A
SCHEMBL19127286 0.70 SMN1; SMN2 (0.48) ALDH1A1KMT2AKDM4EPOLBRAB9A
SCHEMBL28718664 0.69 CYP1A2 (0.43) ALDH1A1KMT2AKDM4EPOLBRAB9A
SCHEMBL29883915 0.69 CYP1A2 (0.43) ALDH1A1KMT2AKDM4EPOLBRAB9A

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-114269742-B Derivatives of 4- (imidazo [1,2-a ] pyridin-3-yl) -N- (pyridinyl) pyrimidin-2-amine as therapeutic agents 常州千红生化制药股份有限公司 2024-07-16 — — CN disclosed
EP-3997088-A1 DERIVATIVES OF 4-(IMIDAZO[L,2-A]PYRIDIN-3-YL)-N-(PYRIDINYL)PYRIMIDIN- 2-AMINE AS THERAPEUTIC AGENTS Aucentra Therapeutics Pty Ltd (AU) 2022-05-18 — — EP disclosed
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