SCHEMBL32679401

SCHEMBL32679401

NN(C(=O)CCCCl)C(=O)n1ccc2c(Nc3ccc(Oc4ccccc4)cc3)ncnc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 1/20 0.44
TTBK2 Q6IQ55 1/20 0.44
KDR P35968 1/20 0.43
TEK Q02763 1/20 0.43
ABL1 P00519 5/20 0.43
BCR P11274 5/20 0.43
MAPT P10636 6/20 0.42
TP53 P04637 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
EGFR P00533 5/20 0.41
ERBB2 P04626 4/20 0.41
ERBB4 Q15303 3/20 0.41
JAK3 P52333 2/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALOX15 P16050 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RIPK2 O43353 1/20 0.39

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
SCHEMBL32679381 0.93 TTBK1 (0.44) TTBK1TTBK2KDRTEKABL1
SCHEMBL32679372 0.89 MAPT (0.43) TTBK1TTBK2KDRTEKABL1
SCHEMBL32679397 0.86 TTBK1 (0.44) TTBK1TTBK2KDRTEKABL1
SCHEMBL32679373 0.84 TTBK1 (0.45) TTBK1TTBK2KDRTEKABL1
SCHEMBL32679402 0.83 TTBK1 (0.47) TTBK1TTBK2KDRTEKABL1
SCHEMBL32679394 0.83 EGFR (0.52) TTBK1TTBK2KDRTEKABL1
SCHEMBL32679393 0.83 EGFR (0.52) TTBK1TTBK2KDRTEKABL1
SCHEMBL32679395 0.82 TTBK1 (0.45) TTBK1TTBK2KDRTEKABL1
SCHEMBL32679398 0.80 PIP4K2A (0.48) TTBK1TTBK2KDRTEKABL1
SCHEMBL32679377 0.80 KDR (0.55) TTBK1TTBK2KDRTEKABL1

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-120424083-B Pyrrolo pyrimidine compound and preparation method and application thereof 江西省肿瘤医院(江西省第二人民医院、江西省癌症中心) 2026-02-27 CN disclosed